hydrogen sulfate; 2-methyl-1,4-di(tetradecyl)isoquinolin-2-ium

Systemtic Name: hydrogen sulfate; 2-methyl-1,4-di(tetradecyl)isoquinolin-2-ium Openeye Name: hydrogen sulfate; 2-methyl-1,4-di(tetradecyl)isoquinolin-2-ium CAS Name: hydrogen sulfate; 2-methyl-1,4-di(tetradecyl)isoquinolin-2-ium IUPAC Name: hydrogen sulfate; 2-methyl-1,4-di(tetradecyl)isoquinolin-2-ium Traditional Name: 2-methyl-1,4-dimyristyl-isoquinolin-2-ium bisulfate Formula: C38H67NO4S MolecularWeight: 634.00788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C[N+](=C(C2=CC=CC=C21)CCCCCCCCCCCCCC)C.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1=C[N+](=C(C2=CC=CC=C21)CCCCCCCCCCCCCC)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C38H66N.H2O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-30-35-34-39(3)38(37-32-29-28-31-36(35)37)33-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5(2,3)4/h28-29,31-32,34H,4-27,30,33H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1