10-methoxy-8,13-dimethyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol phosphate

Systemtic Name: 10-methoxy-8,13-dimethyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol phosphate Openeye Name: 10-methoxy-8,13-dimethyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol phosphate CAS Name: 10-methoxy-8,13-dimethyl-9-isoquinolino[2,1-b]isoquinolin-7-iumol phosphate IUPAC Name: 10-methoxy-8,13-dimethylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol phosphate Traditional Name: 10-methoxy-8,13-dimethyl-isoquinolin[2,1-b]isoquinolin-7-ium-9-ol phosphate Formula: C60H54N3O10P MolecularWeight: 1008.058621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC=CC=C3C=C[N+]2=C(C4=C1C=CC(=C4O)OC)C.CC1=C2C3=CC=CC=C3C=C[N+]2=C(C4=C1C=CC(=C4O)OC)C.CC1=C2C3=CC=CC=C3C=C[N+]2=C(C4=C1C=CC(=C4O)OC)C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=C2C3=CC=CC=C3C=C[N+]2=C(C4=C1C=CC(=C4O)OC)C.CC1=C2C3=CC=CC=C3C=C[N+]2=C(C4=C1C=CC(=C4O)OC)C.CC1=C2C3=CC=CC=C3C=C[N+]2=C(C4=C1C=CC(=C4O)OC)C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C20H17NO2.H3O4P/c3*1-12-15-8-9-17(23-3)20(22)18(15)13(2)21-11-10-14-6-4-5-7-16(14)19(12)21;1-5(2,3)4/h3*4-11H,1-3H3;(H3,1,2,3,4)