ethyl 5-[[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-[(3R)-1-[(3-chlorophenyl)methyl]-1-methyl-piperidin-1-ium-3-yl]carbamoyl]amino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-[(3R)-1-[(3-chlorophenyl)methyl]-1-methyl-piperidin-1-ium-3-yl]carbamoyl]amino]thiophene-2-carboxylate Openeye Name: ethyl 5-[[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-[(3R)-1-[(3-chlorophenyl)methyl]-1-methyl-piperidin-1-ium-3-yl]carbamoyl]amino]thiophene-2-carboxylate CAS Name: 5-[[[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-[(3R)-1-[(3-chlorophenyl)methyl]-1-methyl-3-piperidin-1-iumyl]amino]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-[(3R)-1-[(3-chlorophenyl)methyl]-1-methylpiperidin-1-ium-3-yl]carbamoyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-[(3R)-1-(3-chlorobenzyl)-1-methyl-piperidin-1-ium-3-yl]carbamoyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C30H36ClN4O5S+ MolecularWeight: 600.14864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)NC(=O)N(C2CCC[N+](C2)(C)CC3=CC(=CC=C3)Cl)C(CC4=CC=C(C=C4)O)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)NC(=O)N([C@@H]2CCC[N+](C2)(C)CC3=CC(=CC=C3)Cl)[C@@H](CC4=CC=C(C=C4)O)C(=O)N

InChI

InChI=1S/C30H35ClN4O5S/c1-3-40-29(38)26-13-14-27(41-26)33-30(39)34(25(28(32)37)17-20-9-11-24(36)12-10-20)23-8-5-15-35(2,19-23)18-21-6-4-7-22(31)16-21/h4,6-7,9-14,16,23,25H,3,5,8,15,17-19H2,1-2H3,(H3-,32,33,36,37,38,39)/p+1/t23-,25+,35?/m1/s1