13-(3-iodanylpropyl)-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Systemtic Name: 13-(3-iodanylpropyl)-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 13-(3-iodopropyl)-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 13-(3-iodopropyl)-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 13-(3-iodopropyl)-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 13-(3-iodopropyl)-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium Formula: C24H27INO4+ MolecularWeight: 520.37995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27INO4/c1-27-20-8-7-16-17(6-5-10-25)23-18-13-22(29-3)21(28-2)12-15(18)9-11-26(23)14-19(16)24(20)30-4/h7-8,12-14H,5-6,9-11H2,1-4H3/q+1