6,7-dimethoxy-2-[(4-nitrophenyl)methyl]isoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]isoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-(4-nitrobenzyl)isoquinolin-2-ium Formula: C18H17N2O4+ MolecularWeight: 325.33858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N2O4/c1-23-17-9-14-7-8-19(12-15(14)10-18(17)24-2)11-13-3-5-16(6-4-13)20(21)22/h3-10,12H,11H2,1-2H3/q+1