8-[5-(phenylcarbonyl)-1H-indol-2-yl]octyl 2-(1-methylpyridin-1-ium-3-yl)ethanoate

Systemtic Name: 8-[5-(phenylcarbonyl)-1H-indol-2-yl]octyl 2-(1-methylpyridin-1-ium-3-yl)ethanoate Openeye Name: 8-(5-benzoyl-1H-indol-2-yl)octyl 2-(1-methylpyridin-1-ium-3-yl)acetate CAS Name: 2-(1-methyl-3-pyridin-1-iumyl)acetic acid 8-(5-benzoyl-1H-indol-2-yl)octyl ester IUPAC Name: 8-(5-benzoyl-1H-indol-2-yl)octyl 2-(1-methylpyridin-1-ium-3-yl)acetate Traditional Name: 2-(1-methylpyridin-1-ium-3-yl)acetic acid 8-(5-benzoyl-1H-indol-2-yl)octyl ester Formula: C31H35N2O3+ MolecularWeight: 483.6212

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC(=O)OCCCCCCCCC2=CC3=C(N2)C=CC(=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=CC(=C1)CC(=O)OCCCCCCCCC2=CC3=C(N2)C=CC(=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H34N2O3/c1-33-18-11-12-24(23-33)20-30(34)36-19-10-5-3-2-4-9-15-28-22-27-21-26(16-17-29(27)32-28)31(35)25-13-7-6-8-14-25/h6-8,11-14,16-18,21-23H,2-5,9-10,15,19-20H2,1H3/p+1