propan-2-yl 5-aminocarbonyl-2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC(C)C)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC(C)C)C

InChI

InChI=1S/C19H29N3O4S/c1-10(2)26-19(25)15-13(5)16(17(20)24)27-18(15)21-14(23)9-22-7-11(3)6-12(4)8-22/h10-12H,6-9H2,1-5H3,(H2,20,24)(H,21,23)/p+1/t11-,12+