1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine

Systemtic Name: 1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine Openeye Name: 1-(3-methoxyphenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]ethanimine CAS Name: 1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanimine IUPAC Name: 1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine Traditional Name: (Z)-1-(3-methoxyphenyl)ethylidene-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-17-7-9-19(10-8-17)16-23-11-13-24(14-12-23)22-18(2)20-5-4-6-21(15-20)25-3/h4-10,15H,11-14,16H2,1-3H3/p+1/b22-18-