2-butylisoquinolin-2-ium; hydrogen sulfate

Systemtic Name: 2-butylisoquinolin-2-ium; hydrogen sulfate Openeye Name: 2-butylisoquinolin-2-ium; hydrogen sulfate CAS Name: 2-butylisoquinolin-2-ium; hydrogen sulfate IUPAC Name: 2-butylisoquinolin-2-ium; hydrogen sulfate Traditional Name: 2-butylisoquinolin-2-ium bisulfate Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC2=CC=CC=C2C=C1.OS(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=CC2=CC=CC=C2C=C1.OS(=O)(=O)[O-]

InChI

InChI=1S/C13H16N.H2O4S/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14;1-5(2,3)4/h4-8,10-11H,2-3,9H2,1H3;(H2,1,2,3,4)/q+1;/p-1