2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carbothioamide

Systemtic Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carbothioamide Openeye Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carbothioamide CAS Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinecarbothioamide IUPAC Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carbothioamide Traditional Name: 2-(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=C(C=CC=N2)C(=S)N

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)C(=S)N

InChI

InChI=1S/C12H18N4S/c1-15-6-3-7-16(9-8-15)12-10(11(13)17)4-2-5-14-12/h2,4-5H,3,6-9H2,1H3,(H2,13,17)/p+1