2-(azocan-1-yl)pyridin-1-ium-3-carbothioamide

Systemtic Name: 2-(azocan-1-yl)pyridin-1-ium-3-carbothioamide Openeye Name: 2-(azocan-1-yl)pyridin-1-ium-3-carbothioamide CAS Name: 2-(1-azocanyl)-3-pyridin-1-iumcarbothioamide IUPAC Name: 2-(azocan-1-yl)pyridin-1-ium-3-carbothioamide Traditional Name: 2-(azocan-1-yl)pyridin-1-ium-3-carbothioamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)C(=S)N

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)C(=S)N

InChI

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