propan-2-yl 5-aminocarbonyl-4-methyl-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-4-methyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid isopropyl ester Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCCCC2)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCCCC2)C(=O)N

InChI

InChI=1S/C17H25N3O4S/c1-10(2)24-17(23)13-11(3)14(15(18)22)25-16(13)19-12(21)9-20-7-5-4-6-8-20/h10H,4-9H2,1-3H3,(H2,18,22)(H,19,21)/p+1