3-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxidanylidene-1H-isoindol-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide

Systemtic Name: 3-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxidanylidene-1H-isoindol-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Openeye Name: 3-[(3S)-1-oxo-3-[2-(p-tolyl)-1H-indol-3-yl]isoindolin-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide CAS Name: 3-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Traditional Name: 3-[(3S)-1-keto-3-[2-(p-tolyl)-1H-indol-3-yl]isoindolin-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propionamide Formula: C32H35N4O2+ MolecularWeight: 507.6459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)N4CCC(=O)NCC[NH+]6CCCC6

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)[C@@H]4C5=CC=CC=C5C(=O)N4CCC(=O)NCC[NH+]6CCCC6

InChI

InChI=1S/C32H34N4O2/c1-22-12-14-23(15-13-22)30-29(26-10-4-5-11-27(26)34-30)31-24-8-2-3-9-25(24)32(38)36(31)20-16-28(37)33-17-21-35-18-6-7-19-35/h2-5,8-15,31,34H,6-7,16-21H2,1H3,(H,33,37)/p+1/t31-/m0/s1