2-(azocan-1-yl)pyridin-1-ium-4-carbothioamide

Systemtic Name: 2-(azocan-1-yl)pyridin-1-ium-4-carbothioamide Openeye Name: 2-(azocan-1-yl)pyridin-1-ium-4-carbothioamide CAS Name: 2-(1-azocanyl)-4-pyridin-1-iumcarbothioamide IUPAC Name: 2-(azocan-1-yl)pyridin-1-ium-4-carbothioamide Traditional Name: 2-(azocan-1-yl)pyridin-1-ium-4-carbothioamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=[NH+]C=CC(=C2)C(=S)N

Isomeric SMILES

C1CCCN(CCC1)C2=[NH+]C=CC(=C2)C(=S)N

InChI

InChI=1S/C13H19N3S/c14-13(17)11-6-7-15-12(10-11)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9H2,(H2,14,17)/p+1