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

Systemtic Name: ethyl 3-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-(4-chlorophenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 3-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-5-(4-chlorophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 3-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C21H25ClN3O4S+ MolecularWeight: 450.9589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H24ClN3O4S/c1-2-29-21(28)19-16(11-17(30-19)13-3-5-15(22)6-4-13)24-18(26)12-25-9-7-14(8-10-25)20(23)27/h3-6,11,14H,2,7-10,12H2,1H3,(H2,23,27)(H,24,26)/p+1