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

Systemtic Name: 9-[(4-tert-butylphenyl)methoxy]-13-ethyl-2,3,10-tripropoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Openeye Name: 9-[(4-tert-butylphenyl)methoxy]-13-ethyl-2,3,10-tripropoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium CAS Name: 9-[(4-tert-butylphenyl)methoxy]-13-ethyl-2,3,10-tripropoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium IUPAC Name: 9-[(4-tert-butylphenyl)methoxy]-13-ethyl-2,3,10-tripropoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Traditional Name: 9-(4-tert-butylbenzyl)oxy-13-ethyl-2,3,10-tripropoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium Formula: C39H50NO4+ MolecularWeight: 596.8186

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C[N+]3=C(C4=CC(=C(C=C4CC3)OCCC)OCCC)C(=C2C=C1)CC)OCC5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCCOC1=C(C2=C[N+]3=C(C4=CC(=C(C=C4CC3)OCCC)OCCC)C(=C2C=C1)CC)OCC5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C39H50NO4/c1-8-20-41-34-17-16-31-30(11-4)37-32-24-36(43-22-10-3)35(42-21-9-2)23-28(32)18-19-40(37)25-33(31)38(34)44-26-27-12-14-29(15-13-27)39(5,6)7/h12-17,23-25H,8-11,18-22,26H2,1-7H3/q+1