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

Systemtic Name: 7-chloranyl-1-methyl-5-phenyl-3-pyridin-1-ium-1-yl-3H-1,4-benzodiazepin-2-one chloride Openeye Name: 7-chloro-1-methyl-5-phenyl-3-pyridin-1-ium-1-yl-3H-1,4-benzodiazepin-2-one chloride CAS Name: 7-chloro-1-methyl-5-phenyl-3-(1-pyridin-1-iumyl)-3H-1,4-benzodiazepin-2-one chloride IUPAC Name: 7-chloro-1-methyl-5-phenyl-3-pyridin-1-ium-1-yl-3H-1,4-benzodiazepin-2-one chloride Traditional Name: 7-chloro-1-methyl-5-phenyl-3-pyridin-1-ium-1-yl-3H-1,4-benzodiazepin-2-one chloride Formula: C21H17Cl2N3O MolecularWeight: 398.28518

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN3O.ClH/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;1H/q+1;/p-1