N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-5-methyl-isoxazole-3-carboxamide CAS Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-5-methyl-isoxazole-3-carboxamide Formula: C16H21N4O3S+ MolecularWeight: 349.42794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c1-3-5-20-6-4-10-12(8-20)24-16(13(10)14(17)21)18-15(22)11-7-9(2)23-19-11/h7H,3-6,8H2,1-2H3,(H2,17,21)(H,18,22)/p+1