Benzoic acid, p-(2-cyclohexen-1-yloxy)-, 3-(2-methyl-1-pyrrolidinyl)propyl ester, hydrochloride
Basic information
- CAS
95004-22-1- Standard SMILES
CC1CCC[NH+]1CCCOC(=O)c1ccc(OC2C=CCCC2)cc1.[Cl-]- InChIKey
XOAVVMDWAJSGJI-UHFFFAOYSA-N- Molecular formula
- C21H30ClNO3
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.1914215
Names & identifiers
- Preferred name
- Benzoic acid, p-(2-cyclohexen-1-yloxy)-, 3-(2-methyl-1-pyrrolidinyl)propyl ester, hydrochloride
- IUPAC
- 3-(2-methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate chloride
Names & synonyms
U-180495004-22-1p-(2-Cyclohexen-1-yloxy)benzoic acid 3-(2-methyl-1-pyrrolidinyl)propyl esterBenzoic acid, p-(2-cyclohexen-1-yloxy)-, 3-(2-methyl-1-pyrrolidinyl)propyl ester, hydrochlorideRefChem:3278143-(2-Methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoatechlorideU-1804, p-(2-Cyclohexen-1-yloxy)benzoic acid 3-(2-methyl-1-pyrrolidinyl)propyl ester, Benzoic acid, p-(2-cyclohexen-1-yloxy)-, 3-(2-methyl-1-pyrrolidinyl)propyl ester, hydrochloride, AC1L1LSV, LS-36680, 3-(2-methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate chloride, 95004-22-1
Database identifiers
- CAS
95004-22-1- PubChem CID
- 56846
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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