[1-[[4-(2-methylpropyl)phenyl]methyl]indol-1-ium-1-yl] 2-(phenylcarbonyl)butanoate

Systemtic Name: [1-[[4-(2-methylpropyl)phenyl]methyl]indol-1-ium-1-yl] 2-(phenylcarbonyl)butanoate Openeye Name: [1-[(4-isobutylphenyl)methyl]indol-1-ium-1-yl] 2-benzoylbutanoate CAS Name: 2-benzoylbutanoic acid [1-[[4-(2-methylpropyl)phenyl]methyl]-1-indol-1-iumyl] ester IUPAC Name: [1-[[4-(2-methylpropyl)phenyl]methyl]indol-1-ium-1-yl] 2-benzoylbutanoate Traditional Name: 2-benzoylbutyric acid [1-(4-isobutylbenzyl)indol-1-ium-1-yl] ester Formula: C30H32NO3+ MolecularWeight: 454.57998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)C(=O)O[N+]2(C=CC3=CC=CC=C32)CC4=CC=C(C=C4)CC(C)C

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)C(=O)O[N+]2(C=CC3=CC=CC=C32)CC4=CC=C(C=C4)CC(C)C

InChI

InChI=1S/C30H32NO3/c1-4-27(29(32)26-11-6-5-7-12-26)30(33)34-31(19-18-25-10-8-9-13-28(25)31)21-24-16-14-23(15-17-24)20-22(2)3/h5-19,22,27H,4,20-21H2,1-3H3/q+1