ethyl-[(3S)-2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]azanium

Systemtic Name: ethyl-[(3S)-2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]azanium Openeye Name: ethyl-[(3S)-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]ammonium CAS Name: ethyl-[(3S)-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]ammonium IUPAC Name: ethyl-[(3S)-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]azanium Traditional Name: ethyl-[(3S)-2-keto-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]ammonium Formula: C17H18N3O+ MolecularWeight: 280.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH2+][C@H]1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O/c1-2-18-16-15(12-8-4-3-5-9-12)19-13-10-6-7-11-14(13)20-17(16)21/h3-11,16,18H,2H2,1H3,(H,20,21)/p+1/t16-/m0/s1