heptyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride

Systemtic Name: heptyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: heptyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride CAS Name: 2-[1-[(Z)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid heptyl ester chloride IUPAC Name: heptyl 2-[1-[(Z)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride Traditional Name: 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid heptyl ester chloride Formula: C25H40ClNO2 MolecularWeight: 422.0436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/C)\CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C25H40NO2.ClH/c1-3-4-5-6-13-20-28-25(27)22-26(17-11-8-12-18-26)19-16-23(2)21-24-14-9-7-10-15-24;/h7,9-10,14-16H,3-6,8,11-13,17-22H2,1-2H3;1H/q+1;/p-1/b23-16-;