1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanimine

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanimine Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-N-(2-methyl-5-nitro-phenyl)ethanimine CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-N-(2-methyl-5-nitrophenyl)ethanimine IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-N-(2-methyl-5-nitrophenyl)ethanimine Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)ethylidene-(2-methyl-5-nitro-phenyl)amine Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(C)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(C)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2/c1-20-13-14-24(30(31)32)19-25(20)27-21(2)28-15-17-29(18-16-28)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,26H,15-18H2,1-2H3/p+1