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

Systemtic Name: ethyl 5-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-2-26-21(25)17-15-18(16-9-5-3-6-10-16)27-20(17)22-19(24)11-14-23-12-7-4-8-13-23/h3,5-6,9-10,15H,2,4,7-8,11-14H2,1H3,(H,22,24)/p+1