1-(3,4-dimethoxyphenyl)-N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanimine

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanimine Openeye Name: N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanimine CAS Name: 1-(3,4-dimethoxyphenyl)-N-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanimine IUPAC Name: N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanimine Traditional Name: (E)-(4-benzhydrylpiperazin-4-ium-1-yl)-[1-(3,4-dimethoxyphenyl)ethylidene]amine Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C/C(=N\N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)/C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H31N3O2/c1-21(24-14-15-25(31-2)26(20-24)32-3)28-30-18-16-29(17-19-30)27(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,27H,16-19H2,1-3H3/p+1/b28-21+