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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C22H26N2O/c1-18-6-5-8-20(16-18)10-11-22(25)24-14-12-23(13-15-24)17-21-9-4-3-7-19(21)2/h3-11,16H,12-15,17H2,1-2H3/p+1/b11-10+