2,3-dimethoxy-12-oxidanidyl-9-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium

Systemtic Name: 2,3-dimethoxy-12-oxidanidyl-9-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium Openeye Name: 9-benzyloxy-2,3-dimethoxy-12-oxido-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium CAS Name: 2,3-dimethoxy-12-oxido-9-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium IUPAC Name: 2,3-dimethoxy-12-oxido-9-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium Traditional Name: 9-benzoxy-2,3-dimethoxy-12-oxido-5,6-dihydrobenzimidazol[2,1-a]isoquinolin-12-ium Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=[N+](C4=C3C=C(C=C4)OCC5=CC=CC=C5)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=[N+](C4=C3C=C(C=C4)OCC5=CC=CC=C5)[O-])OC

InChI

InChI=1S/C24H22N2O4/c1-28-22-12-17-10-11-25-21-13-18(30-15-16-6-4-3-5-7-16)8-9-20(21)26(27)24(25)19(17)14-23(22)29-2/h3-9,12-14H,10-11,15H2,1-2H3