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

Systemtic Name: ethyl 2-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H27N3O4S/c1-3-29-22(28)19-18(15-7-5-4-6-8-15)14(2)30-21(19)24-17(26)13-25-11-9-16(10-12-25)20(23)27/h4-8,16H,3,9-13H2,1-2H3,(H2,23,27)(H,24,26)/p+1