ethyl 5-methyl-4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-3-27-22(26)20-19(17-10-6-4-7-11-17)16(2)28-21(20)23-18(25)12-15-24-13-8-5-9-14-24/h4,6-7,10-11H,3,5,8-9,12-15H2,1-2H3,(H,23,25)/p+1