2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-4-carbothioamide

Systemtic Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-4-carbothioamide Openeye Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-4-carbothioamide CAS Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-pyridinecarbothioamide IUPAC Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-4-carbothioamide Traditional Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)thioisonicotinamide Formula: C12H19N4S+ MolecularWeight: 251.37106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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