5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Openeye Name: 5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium CAS Name: 5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Traditional Name: 5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium Formula: C46H54N2O8+2 MolecularWeight: 762.92956

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC3=C(C=C2C1C4=CC5=C(C=C4)OCO5)OCO3)CCCCCCCCCC[N+]6(CCC7=CC8=C(C=C7C6C9=CC1=C(C=C9)OCO1)OCO8)C

Isomeric SMILES

C[N+]1(CCC2=CC3=C(C=C2C1C4=CC5=C(C=C4)OCO5)OCO3)CCCCCCCCCC[N+]6(CCC7=CC8=C(C=C7C6C9=CC1=C(C=C9)OCO1)OCO8)C

InChI

InChI=1S/C46H54N2O8/c1-47(19-15-31-21-41-43(55-29-53-41)25-35(31)45(47)33-11-13-37-39(23-33)51-27-49-37)17-9-7-5-3-4-6-8-10-18-48(2)20-16-32-22-42-44(56-30-54-42)26-36(32)46(48)34-12-14-38-40(24-34)52-28-50-38/h11-14,21-26,45-46H,3-10,15-20,27-30H2,1-2H3/q+2