methyl 3-(2-pyrrolidin-1-ium-1-ylethanoylamino)-1-benzofuran-2-carboxylate

Systemtic Name: methyl 3-(2-pyrrolidin-1-ium-1-ylethanoylamino)-1-benzofuran-2-carboxylate Openeye Name: methyl 3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]coumarilic acid methyl ester Formula: C16H19N2O4+ MolecularWeight: 303.33306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C16H18N2O4/c1-21-16(20)15-14(11-6-2-3-7-12(11)22-15)17-13(19)10-18-8-4-5-9-18/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,19)/p+1