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

Systemtic Name: heptyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: heptyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(Z)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid heptyl ester IUPAC Name: heptyl 2-[1-[(Z)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid heptyl ester Formula: C25H40NO2+ MolecularWeight: 386.5906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40NO2/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/q+1/b23-16-