N-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

Systemtic Name: N-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide Openeye Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]tetrahydrofuran-2-carboxamide CAS Name: N-[2-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-oxolanecarboxamide IUPAC Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide Traditional Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]tetrahydrofuran-2-carboxamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=[N+](C=C4)[O-])C=C2

Isomeric SMILES

C1CC(OC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=[N+](C=C4)[O-])C=C2

InChI

InChI=1S/C20H21N3O4/c24-19(18-2-1-11-27-18)21-17-4-3-14-5-8-22(13-16(14)12-17)20(25)15-6-9-23(26)10-7-15/h3-4,6-7,9-10,12,18H,1-2,5,8,11,13H2,(H,21,24)