Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, pentyl ester

HCID 6446589

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 62988-48-1
Standard SMILES: CCCCCOC(=O)C[N+]1(C/C=C(\C)Cc2ccccc2Cl)CCCCC1.[Cl-]
InChIKey: VNPHRHYMIQHUIH-UNUAAEKOSA-M
Molecular formula: C23H35Cl2NO2
Average molar mass: 428.4 g/mol
Monoisotopic mass: 427.2044847

Names & identifiers

Preferred name: Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, pentyl ester
IUPAC: pentyl 2-[1-[(E)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride

Names & synonyms

Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, pentyl ester62988-48-1RefChem:10963241-(3-(o-Chlorobenzyl)-2-butenyl)-1-(pentoxycarbonylmethyl)piperidinium chloride

Database identifiers

CAS: 62988-48-1
PubChem CID: 6446589

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 11
Heavy atoms: 28
Formal charge: 0
Complexity: 471

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…