3-[1-(2-bromoethyl)-2-methyl-5-nitro-1,2-dihydroimidazol-1-ium-3-yl]-7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride

Systemtic Name: 3-[1-(2-bromoethyl)-2-methyl-5-nitro-1,2-dihydroimidazol-1-ium-3-yl]-7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride Openeye Name: 3-[1-(2-bromoethyl)-2-methyl-5-nitro-1,2-dihydroimidazol-1-ium-3-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride CAS Name: 3-[1-(2-bromoethyl)-2-methyl-5-nitro-1,2-dihydroimidazol-1-ium-3-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride IUPAC Name: 3-[1-(2-bromoethyl)-2-methyl-5-nitro-1,2-dihydroimidazol-1-ium-3-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride Traditional Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitro-4-imidazolin-3-ium-1-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride Formula: C22H22BrCl2N5O3 MolecularWeight: 555.25178

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Descriptors Computed from Structure

Canonical SMILES:

CC1[NH+](C(=CN1C2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C)[N+](=O)[O-])CCBr.[Cl-]

Isomeric SMILES

CC1[NH+](C(=CN1C2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C)[N+](=O)[O-])CCBr.[Cl-]

InChI

InChI=1S/C22H21BrClN5O3.ClH/c1-14-27(11-10-23)19(29(31)32)13-28(14)21-22(30)26(2)18-9-8-16(24)12-17(18)20(25-21)15-6-4-3-5-7-15;/h3-9,12-14,21H,10-11H2,1-2H3;1H