[(E)-2-cyano-3-(methylamino)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-sulfanylidene-prop-1-enyl]azanium

Systemtic Name: [(E)-2-cyano-3-(methylamino)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-sulfanylidene-prop-1-enyl]azanium Openeye Name: [(E)-2-cyano-3-(methylamino)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-thioxo-prop-1-enyl]ammonium CAS Name: [(E)-2-cyano-3-(methylamino)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-sulfanylideneprop-1-enyl]ammonium IUPAC Name: [(E)-2-cyano-3-(methylamino)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-sulfanylideneprop-1-enyl]azanium Traditional Name: [(E)-2-cyano-3-(methylamino)-1-(4-pyridin-1-ium-2-ylpiperazino)-3-thioxo-prop-1-enyl]ammonium Formula: C14H20N6S+2 MolecularWeight: 304.4138

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(=C([NH3+])N1CCN(CC1)C2=CC=CC=[NH+]2)C#N

Isomeric SMILES

CNC(=S)/C(=C(\[NH3+])/N1CCN(CC1)C2=CC=CC=[NH+]2)/C#N

InChI

InChI=1S/C14H18N6S/c1-17-14(21)11(10-15)13(16)20-8-6-19(7-9-20)12-4-2-3-5-18-12/h2-5H,6-9,16H2,1H3,(H,17,21)/p+2/b13-11+