N-hexyl-3-methoxy-2-oxidanidyl-1-oxidanylidene-4-phenyl-3,4-dihydroisoquinolin-2-ium-2-carboxamide

Systemtic Name: N-hexyl-3-methoxy-2-oxidanidyl-1-oxidanylidene-4-phenyl-3,4-dihydroisoquinolin-2-ium-2-carboxamide Openeye Name: N-hexyl-3-methoxy-2-oxido-1-oxo-4-phenyl-3,4-dihydroisoquinolin-2-ium-2-carboxamide CAS Name: N-hexyl-3-methoxy-2-oxido-1-oxo-4-phenyl-3,4-dihydroisoquinolin-2-ium-2-carboxamide IUPAC Name: N-hexyl-3-methoxy-2-oxido-1-oxo-4-phenyl-3,4-dihydroisoquinolin-2-ium-2-carboxamide Traditional Name: N-hexyl-1-keto-3-methoxy-2-oxido-4-phenyl-3,4-dihydroisoquinolin-2-ium-2-carboxamide Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)[N+]1(C(C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)OC)[O-]

Isomeric SMILES

CCCCCCNC(=O)[N+]1(C(C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)OC)[O-]

InChI

InChI=1S/C23H28N2O4/c1-3-4-5-11-16-24-23(27)25(28)21(26)19-15-10-9-14-18(19)20(22(25)29-2)17-12-7-6-8-13-17/h6-10,12-15,20,22H,3-5,11,16H2,1-2H3,(H,24,27)