3-quinolin-1-ium-1-ylbutan-2-yl sulfate hydrate

Systemtic Name: 3-quinolin-1-ium-1-ylbutan-2-yl sulfate hydrate Openeye Name: (1-methyl-2-quinolin-1-ium-1-yl-propyl) sulfate hydrate CAS Name: 3-(1-quinolin-1-iumyl)butan-2-yl sulfate hydrate IUPAC Name: 3-quinolin-1-ium-1-ylbutan-2-yl sulfate hydrate Traditional Name: (1-methyl-2-quinolin-1-ium-1-yl-propyl) sulfate hydrate Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OS(=O)(=O)[O-])[N+]1=CC=CC2=CC=CC=C21.O

Isomeric SMILES

CC(C(C)OS(=O)(=O)[O-])[N+]1=CC=CC2=CC=CC=C21.O

InChI

InChI=1S/C13H15NO4S.H2O/c1-10(11(2)18-19(15,16)17)14-9-5-7-12-6-3-4-8-13(12)14;/h3-11H,1-2H3;1H2