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

Systemtic Name: dodecyl 2-[1-[(Z)-4-(4-methoxyphenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: dodecyl 2-[1-[(Z)-4-(4-methoxyphenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(Z)-4-(4-methoxyphenyl)-3-methylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[(Z)-4-(4-methoxyphenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(Z)-4-(4-methoxyphenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid lauryl ester Formula: C31H52NO3+ MolecularWeight: 486.74948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52NO3/c1-4-5-6-7-8-9-10-11-12-16-25-35-31(33)27-32(22-14-13-15-23-32)24-21-28(2)26-29-17-19-30(34-3)20-18-29/h17-21H,4-16,22-27H2,1-3H3/q+1/b28-21-