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

Systemtic Name: N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine Openeye Name: 1-(3-phenoxyphenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-(3-phenoxyphenyl)methanimine IUPAC Name: N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine Traditional Name: (Z)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]-(3-phenoxybenzylidene)amine Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)N=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)/N=C\C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O/c1-21-10-12-22(13-11-21)20-27-14-16-28(17-15-27)26-19-23-6-5-9-25(18-23)29-24-7-3-2-4-8-24/h2-13,18-19H,14-17,20H2,1H3/p+1/b26-19-