ethyl 5-chloranyl-4-phenyl-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-4-phenyl-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-4-phenyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-chloro-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-phenyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-chloro-4-phenyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H24ClN2O3S+ MolecularWeight: 407.93416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S/c1-2-26-20(25)17-16(14-9-5-3-6-10-14)18(21)27-19(17)22-15(24)13-23-11-7-4-8-12-23/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,22,24)/p+1