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

Systemtic Name: (E)-3-(5-methylthiophen-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-methyl-2-thienyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-methyl-2-thiophenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(5-methylthiophen-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-methyl-2-thienyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C17H21N2OS2+ MolecularWeight: 333.49144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C17H20N2OS2/c1-14-2-3-16(22-14)4-5-17(20)19-9-7-18(8-10-19)12-15-6-11-21-13-15/h2-6,11,13H,7-10,12H2,1H3/p+1/b5-4+