2-(1-adamantylamino)pyridin-1-ium-4-carbothioamide

Systemtic Name: 2-(1-adamantylamino)pyridin-1-ium-4-carbothioamide Openeye Name: 2-(1-adamantylamino)pyridin-1-ium-4-carbothioamide CAS Name: 2-(1-adamantylamino)-4-pyridin-1-iumcarbothioamide IUPAC Name: 2-(1-adamantylamino)pyridin-1-ium-4-carbothioamide Traditional Name: 2-(1-adamantylamino)pyridin-1-ium-4-carbothioamide Formula: C16H22N3S+ MolecularWeight: 288.43098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=[NH+]C=CC(=C4)C(=S)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=[NH+]C=CC(=C4)C(=S)N

InChI

InChI=1S/C16H21N3S/c17-15(20)13-1-2-18-14(6-13)19-16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12H,3-5,7-9H2,(H2,17,20)(H,18,19)/p+1