[2-(hydroxymethyloxy)-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-yl]oxymethanol

Systemtic Name: [2-(hydroxymethyloxy)-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-yl]oxymethanol Openeye Name: [2-(hydroxymethoxy)-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-yl]oxymethanol CAS Name: [2-(hydroxymethoxy)-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-yl]oxymethanol IUPAC Name: [2-(hydroxymethoxy)-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-yl]oxymethanol Traditional Name: (9,10-dimethoxy-2-methyloloxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-3-yl)oxymethanol Formula: C21H22NO6+ MolecularWeight: 384.40248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OCO)OCO)OC

Isomeric SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OCO)OCO)OC

InChI

InChI=1S/C21H22NO6/c1-25-18-4-3-13-7-17-15-9-20(28-12-24)19(27-11-23)8-14(15)5-6-22(17)10-16(13)21(18)26-2/h3-4,7-10,23-24H,5-6,11-12H2,1-2H3/q+1