2-[5-(4-chlorophenyl)-2-oxidanylidene-3H-1,2-benzodiazepin-2-ium-1-yl]-N,N-diethyl-ethanamine

Systemtic Name: 2-[5-(4-chlorophenyl)-2-oxidanylidene-3H-1,2-benzodiazepin-2-ium-1-yl]-N,N-diethyl-ethanamine Openeye Name: 2-[5-(4-chlorophenyl)-2-oxo-3H-1,2-benzodiazepin-2-ium-1-yl]-N,N-diethyl-ethanamine CAS Name: 2-[5-(4-chlorophenyl)-2-oxo-3H-1,2-benzodiazepin-2-ium-1-yl]-N,N-diethylethanamine IUPAC Name: 2-[5-(4-chlorophenyl)-2-oxo-3H-1,2-benzodiazepin-2-ium-1-yl]-N,N-diethylethanamine Traditional Name: 2-[5-(4-chlorophenyl)-2-keto-3H-1,2-benzodiazepin-2-ium-1-yl]ethyl-diethyl-amine Formula: C21H25ClN3O+ MolecularWeight: 370.8957

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2C(=CC[N+]1=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2C(=CC[N+]1=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN3O/c1-3-23(4-2)15-16-24-21-8-6-5-7-20(21)19(13-14-25(24)26)17-9-11-18(22)12-10-17/h5-13H,3-4,14-16H2,1-2H3/q+1