8,13-dimethylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol phosphate

Systemtic Name: 8,13-dimethylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol phosphate Openeye Name: 8,13-dimethylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol phosphate CAS Name: 8,13-dimethyl-9-isoquinolino[2,1-b]isoquinolin-7-iumol phosphate IUPAC Name: 8,13-dimethylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol phosphate Traditional Name: 8,13-dimethylisoquinolin[2,1-b]isoquinolin-7-ium-9-ol phosphate Formula: C57H48N3O7P MolecularWeight: 917.980681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C19H15NO.H3O4P/c3*1-12-15-8-5-9-17(21)18(15)13(2)20-11-10-14-6-3-4-7-16(14)19(12)20;1-5(2,3)4/h3*3-11H,1-2H3;(H3,1,2,3,4)