methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Systemtic Name: methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Openeye Name: methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium CAS Name: methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium IUPAC Name: methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Traditional Name: methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxol[4,5-g]isoquinolin-6-ium Formula: C36H52N2O12S2 MolecularWeight: 768.93428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC3=C(C=C2C(=[N+]1C)CCCCCCCCC4=[N+](C(CC5=CC6=C(C=C54)OCO6)(C)C)C)OCO3)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CC1(CC2=CC3=C(C=C2C(=[N+]1C)CCCCCCCCC4=[N+](C(CC5=CC6=C(C=C54)OCO6)(C)C)C)OCO3)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C34H46N2O4.2CH4O4S/c1-33(2)19-23-15-29-31(39-21-37-29)17-25(23)27(35(33)5)13-11-9-7-8-10-12-14-28-26-18-32-30(38-22-40-32)16-24(26)20-34(3,4)36(28)6;2*1-5-6(2,3)4/h15-18H,7-14,19-22H2,1-6H3;2*1H3,(H,2,3,4)/q+2;;/p-2