(2S)-2-azanyl-N-(2-oxidanylidene-5-phenyl-1,2-benzodiazepin-2-ium-3-yl)propanamide

Systemtic Name: (2S)-2-azanyl-N-(2-oxidanylidene-5-phenyl-1,2-benzodiazepin-2-ium-3-yl)propanamide Openeye Name: (2S)-2-amino-N-(2-oxo-5-phenyl-1,2-benzodiazepin-2-ium-3-yl)propanamide CAS Name: (2S)-2-amino-N-(2-oxo-5-phenyl-1,2-benzodiazepin-2-ium-3-yl)propanamide IUPAC Name: (2S)-2-amino-N-(2-oxo-5-phenyl-1,2-benzodiazepin-2-ium-3-yl)propanamide Traditional Name: (2S)-2-amino-N-(2-keto-5-phenyl-1,2-benzodiazepin-2-ium-3-yl)propionamide Formula: C18H17N4O2+ MolecularWeight: 321.35318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C2C=CC=CC2=N[N+]1=O)C3=CC=CC=C3)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C2C=CC=CC2=N[N+]1=O)C3=CC=CC=C3)N

InChI

InChI=1S/C18H16N4O2/c1-12(19)18(23)20-17-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)21-22(17)24/h2-12H,19H2,1H3/p+1/t12-/m0/s1