5-[(4-nitrophenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one

Systemtic Name: 5-[(4-nitrophenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-[(4-nitrophenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-[(4-nitrophenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-[(4-nitrophenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-(4-nitrobenzyl)oxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C22H21N2O5+ MolecularWeight: 393.41254

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5/c25-21-11-20(13-23-10-9-17-3-1-2-4-18(17)12-23)28-15-22(21)29-14-16-5-7-19(8-6-16)24(26)27/h1-8,11,15H,9-10,12-14H2/p+1