9-[(4-tert-butylphenyl)methoxy]-2,3-diethoxy-13-ethyl-10-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Systemtic Name: 9-[(4-tert-butylphenyl)methoxy]-2,3-diethoxy-13-ethyl-10-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 9-[(4-tert-butylphenyl)methoxy]-2,3-diethoxy-13-ethyl-10-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 9-[(4-tert-butylphenyl)methoxy]-2,3-diethoxy-13-ethyl-10-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 9-[(4-tert-butylphenyl)methoxy]-2,3-diethoxy-13-ethyl-10-methoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 9-(4-tert-butylbenzyl)oxy-2,3-diethoxy-13-ethyl-10-methoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium Formula: C35H42NO4+ MolecularWeight: 540.71228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OCC)OCC)OCC5=CC=C(C=C5)C(C)(C)C)OC

Isomeric SMILES

CCC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OCC)OCC)OCC5=CC=C(C=C5)C(C)(C)C)OC

InChI

InChI=1S/C35H42NO4/c1-8-26-27-15-16-30(37-7)34(40-22-23-11-13-25(14-12-23)35(4,5)6)29(27)21-36-18-17-24-19-31(38-9-2)32(39-10-3)20-28(24)33(26)36/h11-16,19-21H,8-10,17-18,22H2,1-7H3/q+1