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

Systemtic Name: ethyl 4-phenyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-2-26-21(25)19-17(16-9-5-3-6-10-16)15-27-20(19)22-18(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