4-(5-cyanopyridin-1-ium-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide CAS Name: 4-(5-cyano-2-pyridin-1-iumyl)-N-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide Formula: C13H18N5S+ MolecularWeight: 276.38052

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCN(CC1)C2=[NH+]C=C(C=C2)C#N

Isomeric SMILES

CNC(=S)N1CCCN(CC1)C2=[NH+]C=C(C=C2)C#N

InChI

InChI=1S/C13H17N5S/c1-15-13(19)18-6-2-5-17(7-8-18)12-4-3-11(9-14)10-16-12/h3-4,10H,2,5-8H2,1H3,(H,15,19)/p+1