N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(4-ethoxyphenyl)methanimine

Systemtic Name: N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(4-ethoxyphenyl)methanimine Openeye Name: N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(4-ethoxyphenyl)methanimine CAS Name: N-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-(4-ethoxyphenyl)methanimine IUPAC Name: N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(4-ethoxyphenyl)methanimine Traditional Name: (Z)-(4-benzhydrylpiperazin-4-ium-1-yl)-(4-ethoxybenzylidene)amine Formula: C26H30N3O+ MolecularWeight: 400.5359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=NN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=N\N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O/c1-2-30-25-15-13-22(14-16-25)21-27-29-19-17-28(18-20-29)26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,21,26H,2,17-20H2,1H3/p+1/b27-21-