4-(3-methylisoquinolin-2-ium-2-yl)butane-1-sulfonic acid hydroxide

Systemtic Name: 4-(3-methylisoquinolin-2-ium-2-yl)butane-1-sulfonic acid hydroxide Openeye Name: 4-(3-methylisoquinolin-2-ium-2-yl)butane-1-sulfonic acid hydroxide CAS Name: 4-(3-methyl-2-isoquinolin-2-iumyl)-1-butanesulfonic acid hydroxide IUPAC Name: 4-(3-methylisoquinolin-2-ium-2-yl)butane-1-sulfonic acid hydroxide Traditional Name: 4-(3-methylisoquinolin-2-ium-2-yl)butane-1-sulfonic acid hydroxide Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CCCCS(=O)(=O)O.[OH-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CCCCS(=O)(=O)O.[OH-]

InChI

InChI=1S/C14H17NO3S.H2O/c1-12-10-13-6-2-3-7-14(13)11-15(12)8-4-5-9-19(16,17)18;/h2-3,6-7,10-11H,4-5,8-9H2,1H3;1H2