6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carbothioamide

Systemtic Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carbothioamide Openeye Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carbothioamide CAS Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinecarbothioamide IUPAC Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carbothioamide Traditional Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)thionicotinamide Formula: C12H19N4S+ MolecularWeight: 251.37106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC=C(C=C2)C(=S)N

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC=C(C=C2)C(=S)N

InChI

InChI=1S/C12H18N4S/c1-15-5-2-6-16(8-7-15)11-4-3-10(9-14-11)12(13)17/h3-4,9H,2,5-8H2,1H3,(H2,13,17)/p+1