ethyl 4-cyclopropyl-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H25N2O3S+ MolecularWeight: 337.457

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C17H24N2O3S/c1-2-22-17(21)15-13(12-6-7-12)11-23-16(15)18-14(20)10-19-8-4-3-5-9-19/h11-12H,2-10H2,1H3,(H,18,20)/p+1