(Z)-3-azanyl-2-cyano-N-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enethioamide

Systemtic Name: (Z)-3-azanyl-2-cyano-N-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enethioamide Openeye Name: (Z)-3-amino-2-cyano-N-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enethioamide CAS Name: (Z)-3-amino-2-cyano-N-methyl-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propenethioamide IUPAC Name: (Z)-3-amino-2-cyano-N-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enethioamide Traditional Name: (Z)-3-amino-2-cyano-N-methyl-3-(4-pyridin-1-ium-2-ylpiperazino)thioacrylamide Formula: C14H19N6S+ MolecularWeight: 303.40586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CNC(=S)/C(=C(/N)\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+1/b13-11-