(E)-3-(3,5-dimethoxyphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CS3)OC

InChI

InChI=1S/C20H24N2O3S/c1-24-17-12-16(13-18(14-17)25-2)5-6-20(23)22-9-7-21(8-10-22)15-19-4-3-11-26-19/h3-6,11-14H,7-10,15H2,1-2H3/p+1/b6-5+