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

Systemtic Name: hexyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C24H38NO2+ MolecularWeight: 372.56402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38NO2/c1-3-4-5-12-19-27-24(26)21-25(16-10-7-11-17-25)18-15-22(2)20-23-13-8-6-9-14-23/h6,8-9,13-15H,3-5,7,10-12,16-21H2,1-2H3/q+1/b22-15-