N,N-diethyl-2-(3-methoxy-3-oxidanidyl-4-phenyl-4,5-dihydro-2H-1,3-benzodiazepin-3-ium-1-yl)ethanamine

Systemtic Name: N,N-diethyl-2-(3-methoxy-3-oxidanidyl-4-phenyl-4,5-dihydro-2H-1,3-benzodiazepin-3-ium-1-yl)ethanamine Openeye Name: N,N-diethyl-2-(3-methoxy-3-oxido-4-phenyl-4,5-dihydro-2H-1,3-benzodiazepin-3-ium-1-yl)ethanamine CAS Name: N,N-diethyl-2-(3-methoxy-3-oxido-4-phenyl-4,5-dihydro-2H-1,3-benzodiazepin-3-ium-1-yl)ethanamine IUPAC Name: N,N-diethyl-2-(3-methoxy-3-oxido-4-phenyl-4,5-dihydro-2H-1,3-benzodiazepin-3-ium-1-yl)ethanamine Traditional Name: diethyl-[2-(3-methoxy-3-oxido-4-phenyl-4,5-dihydro-2H-1,3-benzodiazepin-3-ium-1-yl)ethyl]amine Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C[N+](C(CC2=CC=CC=C21)C3=CC=CC=C3)([O-])OC

Isomeric SMILES

CCN(CC)CCN1C[N+](C(CC2=CC=CC=C21)C3=CC=CC=C3)([O-])OC

InChI

InChI=1S/C22H31N3O2/c1-4-23(5-2)15-16-24-18-25(26,27-3)22(19-11-7-6-8-12-19)17-20-13-9-10-14-21(20)24/h6-14,22H,4-5,15-18H2,1-3H3