propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C24H31N3O4S/c1-15(2)31-24(30)20-16(3)21(22(25)29)32-23(20)26-19(28)14-27-11-9-18(10-12-27)13-17-7-5-4-6-8-17/h4-8,15,18H,9-14H2,1-3H3,(H2,25,29)(H,26,28)/p+1