8-(cyclohexylmethyl)-2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Systemtic Name: 8-(cyclohexylmethyl)-2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 8-(cyclohexylmethyl)-2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 8-(cyclohexylmethyl)-2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 8-(cyclohexylmethyl)-2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 8-(cyclohexylmethyl)-2,3,10,11-tetramethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium Formula: C28H34NO4+ MolecularWeight: 448.57386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+]3=C(C4=CC(=C(C=C4C=C23)OC)OC)CC5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+]3=C(C4=CC(=C(C=C4C=C23)OC)OC)CC5CCCCC5)OC

InChI

InChI=1S/C28H34NO4/c1-30-25-14-19-10-11-29-23(12-18-8-6-5-7-9-18)22-17-28(33-4)26(31-2)15-20(22)13-24(29)21(19)16-27(25)32-3/h13-18H,5-12H2,1-4H3/q+1