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

Systemtic Name: octyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C26H42NO2+ MolecularWeight: 400.61718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42NO2/c1-3-4-5-6-7-14-21-29-26(28)23-27(18-12-9-13-19-27)20-17-24(2)22-25-15-10-8-11-16-25/h8,10-11,15-17H,3-7,9,12-14,18-23H2,1-2H3/q+1/b24-17-