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

Systemtic Name: (Z)-3-(2-methoxyphenyl)-2-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (Z)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)-2-phenyl-prop-2-en-1-one CAS Name: (Z)-3-(2-methoxyphenyl)-2-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (Z)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)-2-phenylprop-2-en-1-one Traditional Name: (Z)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)-2-phenyl-prop-2-en-1-one Formula: C27H29N2O2+ MolecularWeight: 413.53136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1/C=C(/C2=CC=CC=C2)\C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-31-26-15-9-8-14-24(26)20-25(23-12-6-3-7-13-23)27(30)29-18-16-28(17-19-29)21-22-10-4-2-5-11-22/h2-15,20H,16-19,21H2,1H3/p+1/b25-20-