Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, dodecyl ester

HCID 6446579

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Basic information

CAS: 62988-43-6
Standard SMILES: CCCCCCCCCCCCOC(=O)C[N+]1(C/C=C(\C)Cc2ccccc2)CCCCC1.[Cl-]
InChIKey: SESBRLOUCRGENS-HUPDFLJJSA-M
Molecular formula: C30H50ClNO2
Average molar mass: 492.2 g/mol
Monoisotopic mass: 491.3530075

Names & identifiers

Preferred name: Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, dodecyl ester
IUPAC: dodecyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride

Names & synonyms

Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, dodecyl ester62988-43-6RefChem:10962951-(3-Benzyl-2-butenyl)-1-(dodecyloxycarbonylmethyl)piperidinium chloride

Database identifiers

CAS: 62988-43-6
PubChem CID: 6446579

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 18
Heavy atoms: 34
Formal charge: 0
Complexity: 529

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