N-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-2,6-dimethyl-3-nitro-1-oxidanyl-pyridin-4-imine trihydrochloride

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-2,6-dimethyl-3-nitro-1-oxidanyl-pyridin-4-imine trihydrochloride Openeye Name: N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-hydroxy-2,6-dimethyl-3-nitro-pyridin-4-imine trihydrochloride CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl]-1-hydroxy-2,6-dimethyl-3-nitro-4-pyridinimine trihydrochloride IUPAC Name: N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-hydroxy-2,6-dimethyl-3-nitropyridin-4-imine trihydrochloride Traditional Name: 2-(4-benzhydrylpiperazino)ethyl-(1-hydroxy-2,6-dimethyl-3-nitro-4-pyridylidene)amine trihydrochloride Formula: C26H34Cl3N5O3 MolecularWeight: 570.93886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=C(N1O)C)[N+](=O)[O-].Cl.Cl.Cl

Isomeric SMILES

CC1=CC(=NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=C(N1O)C)[N+](=O)[O-].Cl.Cl.Cl

InChI

InChI=1S/C26H31N5O3.3ClH/c1-20-19-24(25(31(33)34)21(2)30(20)32)27-13-14-28-15-17-29(18-16-28)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23;;;/h3-12,19,26,32H,13-18H2,1-2H3;3*1H