ethyl 5-methyl-4-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)C[NH+]3CCCCC3C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-5-28-23(27)21-20(18-11-9-15(2)10-12-18)17(4)29-22(21)24-19(26)14-25-13-7-6-8-16(25)3/h9-12,16H,5-8,13-14H2,1-4H3,(H,24,26)/p+1/t16-/m0/s1