7-methoxy-2-methyl-1-[(3-nitrophenyl)methyl]-8-phenylmethoxy-isoquinolin-2-ium

Systemtic Name: 7-methoxy-2-methyl-1-[(3-nitrophenyl)methyl]-8-phenylmethoxy-isoquinolin-2-ium Openeye Name: 8-benzyloxy-7-methoxy-2-methyl-1-[(3-nitrophenyl)methyl]isoquinolin-2-ium CAS Name: 7-methoxy-2-methyl-1-[(3-nitrophenyl)methyl]-8-phenylmethoxyisoquinolin-2-ium IUPAC Name: 7-methoxy-2-methyl-1-[(3-nitrophenyl)methyl]-8-phenylmethoxyisoquinolin-2-ium Traditional Name: 8-benzoxy-7-methoxy-2-methyl-1-(3-nitrobenzyl)isoquinolin-2-ium Formula: C25H23N2O4+ MolecularWeight: 415.46112

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C=CC(=C2OCC3=CC=CC=C3)OC)C=C1)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2OCC3=CC=CC=C3)OC)C=C1)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N2O4/c1-26-14-13-20-11-12-23(30-2)25(31-17-18-7-4-3-5-8-18)24(20)22(26)16-19-9-6-10-21(15-19)27(28)29/h3-15H,16-17H2,1-2H3/q+1