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

Systemtic Name: decyl 2-[1-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: decyl 2-[1-[(Z)-3-methyl-4-(p-tolyl)but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(Z)-3-methyl-4-(p-tolyl)but-2-enyl]piperidin-1-ium-1-yl]acetic acid decyl ester Formula: C29H48NO2+ MolecularWeight: 442.69692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48NO2/c1-4-5-6-7-8-9-10-14-23-32-29(31)25-30(20-12-11-13-21-30)22-19-27(3)24-28-17-15-26(2)16-18-28/h15-19H,4-14,20-25H2,1-3H3/q+1/b27-19-