N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine

Systemtic Name: N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine Openeye Name: 1-(3-benzyloxyphenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-(3-phenylmethoxyphenyl)methanimine IUPAC Name: N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine Traditional Name: (3-benzoxybenzylidene)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C26H30N3O+ MolecularWeight: 400.5359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O/c1-22-10-12-23(13-11-22)20-28-14-16-29(17-15-28)27-19-25-8-5-9-26(18-25)30-21-24-6-3-2-4-7-24/h2-13,18-19H,14-17,20-21H2,1H3/p+1