N-[(2S)-1-[(3-azanyl-1H-isoindol-2-ium-2-yl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[(3-azanyl-1H-isoindol-2-ium-2-yl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[(1S)-2-[(3-amino-1H-isoindol-2-ium-2-yl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-[(3-amino-1H-isoindol-2-ium-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[(3-amino-1H-isoindol-2-ium-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-2-[(3-amino-1H-isoindol-2-ium-2-yl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]benzamide Formula: C26H24N5O2+ MolecularWeight: 438.50106

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C26H23N5O2/c27-24-21-12-5-4-10-18(21)16-31(24)30-26(33)23(29-25(32)17-8-2-1-3-9-17)14-19-15-28-22-13-7-6-11-20(19)22/h1-13,15,23,27-28H,14,16H2,(H2,29,30,32,33)/p+1/t23-/m0/s1