ethyl 2-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-isopropyl-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(=C1)C(C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H27N3O4S/c1-4-25-18(24)13-9-14(11(2)3)26-17(13)20-15(22)10-21-7-5-12(6-8-21)16(19)23/h9,11-12H,4-8,10H2,1-3H3,(H2,19,23)(H,20,22)/p+1