3-ethyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine

Systemtic Name: 3-ethyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine Openeye Name: 3-ethyl-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-1-ium-4-amine CAS Name: 3-ethyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine IUPAC Name: 3-ethyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-4-amine Traditional Name: (3-ethyl-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-1-ium-4-yl)amine Formula: C19H21N2S+ MolecularWeight: 309.44844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([NH+]=C2C(=C1N)C3=C(S2)CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C([NH+]=C2C(=C1N)C3=C(S2)CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C19H20N2S/c1-2-13-17(20)16-14-10-6-7-11-15(14)22-19(16)21-18(13)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,20,21)/p+1