N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine Openeye Name: 1-(4-benzyloxyphenyl)-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-(4-phenylmethoxyphenyl)methanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine Traditional Name: (Z)-(4-benzoxybenzylidene)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C27H32N3O+ MolecularWeight: 414.56248

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O/c1-22-8-11-26(23(2)18-22)20-29-14-16-30(17-15-29)28-19-24-9-12-27(13-10-24)31-21-25-6-4-3-5-7-25/h3-13,18-19H,14-17,20-21H2,1-2H3/p+1/b28-19-