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

Systemtic Name: 1-(3-methoxy-4-phenylmethoxy-phenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(4-benzyloxy-3-methoxy-phenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(3-methoxy-4-phenylmethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(3-methoxy-4-phenylmethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (E)-(4-benzoxy-3-methoxy-benzylidene)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C27H32N3O2+ MolecularWeight: 430.56188

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O2/c1-22-8-10-23(11-9-22)20-29-14-16-30(17-15-29)28-19-25-12-13-26(27(18-25)31-2)32-21-24-6-4-3-5-7-24/h3-13,18-19H,14-17,20-21H2,1-2H3/p+1/b28-19+