methyl 4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C20H24N2O3S/c1-25-20(24)18-16(15-8-4-2-5-9-15)14-26-19(18)21-17(23)10-13-22-11-6-3-7-12-22/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,21,23)/p+1