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

Systemtic Name: 13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 13-hexyl-2,3,9,10-tetramethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium Formula: C27H34NO4+ MolecularWeight: 436.56316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC

InChI

InChI=1S/C27H34NO4/c1-6-7-8-9-10-20-19-11-12-23(29-2)27(32-5)22(19)17-28-14-13-18-15-24(30-3)25(31-4)16-21(18)26(20)28/h11-12,15-17H,6-10,13-14H2,1-5H3/q+1