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

Systemtic Name: (E)-3-(4-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-methoxyphenyl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-methoxyphenyl)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2/c1-18-5-3-4-6-20(18)17-23-13-15-24(16-14-23)22(25)12-9-19-7-10-21(26-2)11-8-19/h3-12H,13-17H2,1-2H3/p+1/b12-9+