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

Systemtic Name: ethyl 2-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-(2,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-4-30-23(29)20-18(17-6-5-14(2)11-15(17)3)13-31-22(20)25-19(27)12-26-9-7-16(8-10-26)21(24)28/h5-6,11,13,16H,4,7-10,12H2,1-3H3,(H2,24,28)(H,25,27)/p+1