7-prop-2-enylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: 7-prop-2-enylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 7-allylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 7-prop-2-enylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 7-prop-2-enylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 7-allylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C12H16ClNO2S MolecularWeight: 273.77894

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Descriptors Computed from Structure

Canonical SMILES:

C=CCS(=O)(=O)C1=CC2=C(CC[NH2+]C2)C=C1.[Cl-]

Isomeric SMILES

C=CCS(=O)(=O)C1=CC2=C(CC[NH2+]C2)C=C1.[Cl-]

InChI

InChI=1S/C12H15NO2S.ClH/c1-2-7-16(14,15)12-4-3-10-5-6-13-9-11(10)8-12;/h2-4,8,13H,1,5-7,9H2;1H