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

Systemtic Name: (E)-3-(2-ethoxyphenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-ethoxyphenyl)-1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-ethoxyphenyl)-1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-ethoxyphenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-3-o-phenetyl-prop-2-en-1-one Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C23H28N2O2/c1-3-27-22-10-5-4-9-21(22)11-12-23(26)25-15-13-24(14-16-25)18-20-8-6-7-19(2)17-20/h4-12,17H,3,13-16,18H2,1-2H3/p+1/b12-11+