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

Systemtic Name: decyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 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 decyl ester Formula: C28H46NO2+ MolecularWeight: 428.67034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46NO2/c1-3-4-5-6-7-8-9-16-23-31-28(30)25-29(20-14-11-15-21-29)22-19-26(2)24-27-17-12-10-13-18-27/h10,12-13,17-19H,3-9,11,14-16,20-25H2,1-2H3/q+1/b26-19-