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

Systemtic Name: (E)-3-(2-methoxyphenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-methoxyphenyl)-1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methoxyphenyl)-1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methoxyphenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-methoxyphenyl)-1-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C22H26N2O2/c1-18-6-5-7-19(16-18)17-23-12-14-24(15-13-23)22(25)11-10-20-8-3-4-9-21(20)26-2/h3-11,16H,12-15,17H2,1-2H3/p+1/b11-10+