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

Systemtic Name: (E)-3-(2-methoxyphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(2-methoxyphenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2/c1-25-20-10-6-5-9-19(20)11-12-21(24)23-15-13-22(14-16-23)17-18-7-3-2-4-8-18/h2-12H,13-17H2,1H3/p+1/b12-11+