(E)-3-(2-methylphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-methylphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(o-tolyl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methylphenyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methylphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-3-(o-tolyl)prop-2-en-1-one Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C=CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3C

InChI

InChI=1S/C22H26N2O/c1-18-7-3-5-9-20(18)11-12-22(25)24-15-13-23(14-16-24)17-21-10-6-4-8-19(21)2/h3-12H,13-17H2,1-2H3/p+1/b12-11+