[(2S)-1-[(4-cyanophenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(4-cyanoanilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-cyanoanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-cyanoanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(4-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=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC=C(C=C3)C#N)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NC3=CC=C(C=C3)C#N)[NH3+]

InChI

InChI=1S/C18H16N4O/c19-10-12-5-7-14(8-6-12)22-18(23)16(20)9-13-11-21-17-4-2-1-3-15(13)17/h1-8,11,16,21H,9,20H2,(H,22,23)/p+1/t16-/m0/s1