2,3,9,10-tetrabutoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride

Systemtic Name: 2,3,9,10-tetrabutoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Openeye Name: 2,3,9,10-tetrabutoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride CAS Name: 2,3,9,10-tetrabutoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride IUPAC Name: 2,3,9,10-tetrabutoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride Traditional Name: 2,3,9,10-tetrabutoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium chloride Formula: C33H46ClNO4 MolecularWeight: 556.17564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OCCCC)OCCCC)OCCCC.[Cl-]

Isomeric SMILES

CCCCOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OCCCC)OCCCC)OCCCC.[Cl-]

InChI

InChI=1S/C33H46NO4.ClH/c1-5-9-17-35-30-14-13-25-21-29-27-23-32(37-19-11-7-3)31(36-18-10-6-2)22-26(27)15-16-34(29)24-28(25)33(30)38-20-12-8-4;/h13-14,21-24H,5-12,15-20H2,1-4H3;1H/q+1;/p-1