1-(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-N,N-diethyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-N,N-diethylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Formula: C25H24Cl2N4O2 MolecularWeight: 483.38966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=CC=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H23ClN4O2.ClH/c1-3-29(4-2)25(32)18-11-8-14-30(16-18)23-24(31)27-21-13-12-19(26)15-20(21)22(28-23)17-9-6-5-7-10-17;/h5-16,23H,3-4H2,1-2H3;1H