ethyl 5-chloranyl-3-(2-piperidin-1-ium-1-ylethanoylamino)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-(2-piperidin-1-ium-1-ylethanoylamino)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-chloro-3-[(2-piperidin-1-ium-1-ylacetyl)amino]benzofuran-2-carboxylate CAS Name: 5-chloro-3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-[(2-piperidin-1-ium-1-ylacetyl)amino]coumarilic acid ethyl ester Formula: C18H22ClN2O4+ MolecularWeight: 365.83128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C18H21ClN2O4/c1-2-24-18(23)17-16(13-10-12(19)6-7-14(13)25-17)20-15(22)11-21-8-4-3-5-9-21/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,22)/p+1