2-(3-methylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3-methyl-1-imidazol-3-iumyl)sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[N+]1=CN(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C13H16N3O2S/c1-14-8-9-16(11-14)19(17,18)15-7-6-12-4-2-3-5-13(12)10-15/h2-5,8-9,11H,6-7,10H2,1H3/q+1