2-(3-phenylpropanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 2-(3-phenylpropanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-isopropyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-(3-phenylpropanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-(hydrocinnamoylamino)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c1-13(2)23-11-10-15-16(12-23)26-20(18(15)19(21)25)22-17(24)9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,21,25)(H,22,24)/p+1