N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methoxy-4-phenylmethoxy-phenyl)methanimine

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methoxy-4-phenylmethoxy-phenyl)methanimine Openeye Name: 1-(4-benzyloxy-3-methoxy-phenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine Traditional Name: (Z)-(4-benzoxy-3-methoxy-benzylidene)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)N=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)/N=C\C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C

InChI

InChI=1S/C28H33N3O2/c1-22-9-11-26(23(2)17-22)20-30-13-15-31(16-14-30)29-19-25-10-12-27(28(18-25)32-3)33-21-24-7-5-4-6-8-24/h4-12,17-19H,13-16,20-21H2,1-3H3/p+1/b29-19-