N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[(5-ethoxy-2-methyl-coumaran-6-yl)methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H20N2O4/c1-3-23-16-8-14-7-12(2)24-17(14)9-15(16)10-19-18(21)13-5-4-6-20(22)11-13/h4-6,8-9,11-12H,3,7,10H2,1-2H3,(H,19,21)