2-(6-isoquinolin-2-ium-2-ylhexyl)isoquinolin-2-ium; methyl sulfate

Systemtic Name: 2-(6-isoquinolin-2-ium-2-ylhexyl)isoquinolin-2-ium; methyl sulfate Openeye Name: 2-(6-isoquinolin-2-ium-2-ylhexyl)isoquinolin-2-ium; methyl sulfate CAS Name: 2-[6-(2-isoquinolin-2-iumyl)hexyl]isoquinolin-2-ium; methyl sulfate IUPAC Name: 2-(6-isoquinolin-2-ium-2-ylhexyl)isoquinolin-2-ium; methyl sulfate Traditional Name: 2-(6-isoquinolin-2-ium-2-ylhexyl)isoquinolin-2-ium; methyl sulfate Formula: C26H32N2O8S2 MolecularWeight: 564.67088

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].COS(=O)(=O)[O-].C1=CC=C2C=[N+](C=CC2=C1)CCCCCC[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COS(=O)(=O)[O-].COS(=O)(=O)[O-].C1=CC=C2C=[N+](C=CC2=C1)CCCCCC[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26N2.2CH4O4S/c1(7-15-25-17-13-21-9-3-5-11-23(21)19-25)2-8-16-26-18-14-22-10-4-6-12-24(22)20-26;2*1-5-6(2,3)4/h3-6,9-14,17-20H,1-2,7-8,15-16H2;2*1H3,(H,2,3,4)/q+2;;/p-2