6-ethoxy-1-(2-nitrophenyl)-2-oxidanidyl-7-propoxy-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 6-ethoxy-1-(2-nitrophenyl)-2-oxidanidyl-7-propoxy-3,4-dihydroisoquinolin-2-ium Openeye Name: 6-ethoxy-1-(2-nitrophenyl)-2-oxido-7-propoxy-3,4-dihydroisoquinolin-2-ium CAS Name: 6-ethoxy-1-(2-nitrophenyl)-2-oxido-7-propoxy-3,4-dihydroisoquinolin-2-ium IUPAC Name: 6-ethoxy-1-(2-nitrophenyl)-2-oxido-7-propoxy-3,4-dihydroisoquinolin-2-ium Traditional Name: 6-ethoxy-1-(2-nitrophenyl)-2-oxido-7-propoxy-3,4-dihydroisoquinolin-2-ium Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2CC[N+](=C(C2=C1)C3=CC=CC=C3[N+](=O)[O-])[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C2CC[N+](=C(C2=C1)C3=CC=CC=C3[N+](=O)[O-])[O-])OCC

InChI

InChI=1S/C20H22N2O5/c1-3-11-27-19-13-16-14(12-18(19)26-4-2)9-10-21(23)20(16)15-7-5-6-8-17(15)22(24)25/h5-8,12-13H,3-4,9-11H2,1-2H3