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

Systemtic Name: (E)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-thiophen-3-yl-prop-2-en-1-one Openeye Name: (E)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(3-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-(3-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-thiophen-3-ylprop-2-en-1-one Traditional Name: (E)-1-(4-pyridin-1-ium-2-ylpiperazino)-3-(3-thienyl)prop-2-en-1-one Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C=CC3=CSC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C16H17N3OS/c20-16(5-4-14-6-12-21-13-14)19-10-8-18(9-11-19)15-3-1-2-7-17-15/h1-7,12-13H,8-11H2/p+1/b5-4+