ethyl 2-[[(2S)-2-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]amino]-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)NC(=O)C(C)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-3-29-22(28)18-17(15-7-5-4-6-8-15)13-30-21(18)24-20(27)14(2)25-11-9-16(10-12-25)19(23)26/h4-8,13-14,16H,3,9-12H2,1-2H3,(H2,23,26)(H,24,27)/p+1/t14-/m0/s1