(E)-1-(4-methylpiperazin-4-ium-1-yl)-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-(4-methyl-1-piperazin-4-iumyl)-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2-thienyl)prop-2-en-1-one Formula: C12H17N2OS+ MolecularWeight: 237.34118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CC=CS2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C12H16N2OS/c1-13-6-8-14(9-7-13)12(15)5-4-11-3-2-10-16-11/h2-5,10H,6-9H2,1H3/p+1/b5-4+