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

Systemtic Name: 2-(azepan-1-yl)pyridin-1-ium-4-carbothioamide Openeye Name: 2-(azepan-1-yl)pyridin-1-ium-4-carbothioamide CAS Name: 2-(1-azepanyl)-4-pyridin-1-iumcarbothioamide IUPAC Name: 2-(azepan-1-yl)pyridin-1-ium-4-carbothioamide Traditional Name: 2-(azepan-1-yl)pyridin-1-ium-4-carbothioamide Formula: C12H18N3S+ MolecularWeight: 236.35642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[NH+]C=CC(=C2)C(=S)N

Isomeric SMILES

C1CCCN(CC1)C2=[NH+]C=CC(=C2)C(=S)N

InChI

InChI=1S/C12H17N3S/c13-12(16)10-5-6-14-11(9-10)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H2,13,16)/p+1