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

Systemtic Name: (E)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-asaryl-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-25-18-13-20(27-3)19(26-2)12-17(18)4-5-21(24)23-9-7-22(8-10-23)14-16-6-11-28-15-16/h4-6,11-13,15H,7-10,14H2,1-3H3/p+1/b5-4+