8-cyclohexyl-2,3,9,10,11-pentamethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Systemtic Name: 8-cyclohexyl-2,3,9,10,11-pentamethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 8-cyclohexyl-2,3,9,10,11-pentamethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 8-cyclohexyl-2,3,9,10,11-pentamethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 8-cyclohexyl-2,3,9,10,11-pentamethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 8-cyclohexyl-2,3,9,10,11-pentamethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium Formula: C28H34NO5+ MolecularWeight: 464.57326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+]3=C(C4=C(C(=C(C=C4C=C23)OC)OC)OC)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+]3=C(C4=C(C(=C(C=C4C=C23)OC)OC)OC)C5CCCCC5)OC

InChI

InChI=1S/C28H34NO5/c1-30-22-14-18-11-12-29-21(20(18)16-23(22)31-2)13-19-15-24(32-3)27(33-4)28(34-5)25(19)26(29)17-9-7-6-8-10-17/h13-17H,6-12H2,1-5H3/q+1