6-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-methyl-2-[(2-methyl-1-oxopropyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-(isobutyrylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C13H20N3O2S+ MolecularWeight: 282.3818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C2=C(S1)C[NH+](CC2)C)C(=O)N

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)C[NH+](CC2)C)C(=O)N

InChI

InChI=1S/C13H19N3O2S/c1-7(2)12(18)15-13-10(11(14)17)8-4-5-16(3)6-9(8)19-13/h7H,4-6H2,1-3H3,(H2,14,17)(H,15,18)/p+1