[(2S)-1-[(2-cyanophenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(2-cyanoanilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(2-cyanoanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-cyanoanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(2-cyanoanilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium Formula: C18H17N4O+ MolecularWeight: 305.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)C(CC2=CNC3=CC=CC=C32)[NH3+]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+]

InChI

InChI=1S/C18H16N4O/c19-10-12-5-1-3-7-16(12)22-18(23)15(20)9-13-11-21-17-8-4-2-6-14(13)17/h1-8,11,15,21H,9,20H2,(H,22,23)/p+1/t15-/m0/s1