[(3S)-7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-di(propan-2-yl)azanium

Systemtic Name: [(3S)-7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-di(propan-2-yl)azanium Openeye Name: [(3S)-7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-diisopropyl-ammonium CAS Name: [(3S)-7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-di(propan-2-yl)ammonium IUPAC Name: [(3S)-7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-di(propan-2-yl)azanium Traditional Name: [(3S)-7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]-diisopropyl-ammonium Formula: C22H27ClN3O+ MolecularWeight: 384.92228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C)C(C)C

Isomeric SMILES

CC(C)[NH+]([C@H]1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C)C(C)C

InChI

InChI=1S/C22H26ClN3O/c1-14(2)26(15(3)4)21-22(27)25(5)19-12-11-17(23)13-18(19)20(24-21)16-9-7-6-8-10-16/h6-15,21H,1-5H3/p+1/t21-/m0/s1