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

Systemtic Name: heptyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: heptyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(Z)-4-(2-chlorophenyl)-3-methylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid heptyl ester IUPAC Name: heptyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid heptyl ester Formula: C25H39ClNO2+ MolecularWeight: 421.03566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/C)\CC2=CC=CC=C2Cl

InChI

InChI=1S/C25H39ClNO2/c1-3-4-5-6-12-19-29-25(28)21-27(16-10-7-11-17-27)18-15-22(2)20-23-13-8-9-14-24(23)26/h8-9,13-15H,3-7,10-12,16-21H2,1-2H3/q+1/b22-15-