N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[2-(2,2-dimethylcoumaran-7-yl)oxyethyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCCNC(=O)C3=CC=[N+](C=C3)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCCNC(=O)C3=CC=[N+](C=C3)[O-])C

InChI

InChI=1S/C18H20N2O4/c1-18(2)12-14-4-3-5-15(16(14)24-18)23-11-8-19-17(21)13-6-9-20(22)10-7-13/h3-7,9-10H,8,11-12H2,1-2H3,(H,19,21)