N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine

Systemtic Name: N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(2,4,5-trimethoxyphenyl)methanimine CAS Name: N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-(2,4,5-trimethoxyphenyl)methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(2,4,5-trimethoxyphenyl)methanimine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxybenzylidene)amine Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NN2CC[NH+](CC2)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N/N2CC[NH+](CC2)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H27N3O3/c1-25-19-14-21(27-3)20(26-2)13-18(19)15-22-24-11-9-23(10-12-24)16-17-7-5-4-6-8-17/h4-8,13-15H,9-12,16H2,1-3H3/p+1/b22-15+