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

Systemtic Name: ethyl 3-[2-[(2S)-2-aminocarbonylpiperidin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[(2S)-2-carbamoylpiperidin-1-ium-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(2S)-2-carbamoyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2S)-2-carbamoylpiperidin-1-ium-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[(2S)-2-carbamoylpiperidin-1-ium-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+]3CCCCC3C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+]3CCCC[C@H]3C(=O)N

InChI

InChI=1S/C21H25N3O4S/c1-2-28-21(27)19-15(12-17(29-19)14-8-4-3-5-9-14)23-18(25)13-24-11-7-6-10-16(24)20(22)26/h3-5,8-9,12,16H,2,6-7,10-11,13H2,1H3,(H2,22,26)(H,23,25)/p+1/t16-/m0/s1