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

Systemtic Name: dodecyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C30H50NO2+ MolecularWeight: 456.7235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50NO2/c1-3-4-5-6-7-8-9-10-11-18-25-33-30(32)27-31(22-16-13-17-23-31)24-21-28(2)26-29-19-14-12-15-20-29/h12,14-15,19-21H,3-11,13,16-18,22-27H2,1-2H3/q+1/b28-21-