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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH+]2CC(CC(C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH+]2C[C@@H](C[C@@H](C2)C)C

InChI

InChI=1S/C18H27N3O4S/c1-5-25-18(24)14-12(4)15(16(19)23)26-17(14)20-13(22)9-21-7-10(2)6-11(3)8-21/h10-11H,5-9H2,1-4H3,(H2,19,23)(H,20,22)/p+1/t10-,11+