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

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine Openeye Name: 1-(3-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-(3-phenylmethoxyphenyl)methanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine Traditional Name: (E)-(3-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(=CC=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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