7-chloranyl-1-methyl-5-phenyl-3-pyridin-1-ium-1-yl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-1-methyl-5-phenyl-3-pyridin-1-ium-1-yl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-methyl-5-phenyl-3-pyridin-1-ium-1-yl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-methyl-5-phenyl-3-(1-pyridin-1-iumyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-methyl-5-phenyl-3-pyridin-1-ium-1-yl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-methyl-5-phenyl-3-pyridin-1-ium-1-yl-3H-1,4-benzodiazepin-2-one Formula: C21H17ClN3O+ MolecularWeight: 362.83218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)[N+]3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)[N+]3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN3O/c1-24-18-11-10-16(22)14-17(18)19(15-8-4-2-5-9-15)23-20(21(24)26)25-12-6-3-7-13-25/h2-14,20H,1H3/q+1