N-methyl-1-pyridin-1-ium-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: N-methyl-1-pyridin-1-ium-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-methyl-1-pyridin-1-ium-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-methyl-1-(4-pyridin-1-iumyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-methyl-1-pyridin-1-ium-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-methyl-1-pyridin-1-ium-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C14H17N4S+ MolecularWeight: 273.37658

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN2C=CC=C2C1C3=CC=[NH+]C=C3

Isomeric SMILES

CNC(=S)N1CCN2C=CC=C2C1C3=CC=[NH+]C=C3

InChI

InChI=1S/C14H16N4S/c1-15-14(19)18-10-9-17-8-2-3-12(17)13(18)11-4-6-16-7-5-11/h2-8,13H,9-10H2,1H3,(H,15,19)/p+1