2-(14-isoquinolin-2-ium-2-yltetradecyl)isoquinolin-2-ium; methyl sulfate

Systemtic Name: 2-(14-isoquinolin-2-ium-2-yltetradecyl)isoquinolin-2-ium; methyl sulfate Openeye Name: 2-(14-isoquinolin-2-ium-2-yltetradecyl)isoquinolin-2-ium; methyl sulfate CAS Name: 2-[14-(2-isoquinolin-2-iumyl)tetradecyl]isoquinolin-2-ium; methyl sulfate IUPAC Name: 2-(14-isoquinolin-2-ium-2-yltetradecyl)isoquinolin-2-ium; methyl sulfate Traditional Name: 2-(14-isoquinolin-2-ium-2-yltetradecyl)isoquinolin-2-ium; methyl sulfate Formula: C34H48N2O8S2 MolecularWeight: 676.88352

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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)CCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2.2CH4O4S/c1(3-5-7-9-15-23-33-25-21-29-17-11-13-19-31(29)27-33)2-4-6-8-10-16-24-34-26-22-30-18-12-14-20-32(30)28-34;2*1-5-6(2,3)4/h11-14,17-22,25-28H,1-10,15-16,23-24H2;2*1H3,(H,2,3,4)/q+2;;/p-2