N,N-dimethyl-6-oxidanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-sulfonamide

Systemtic Name: N,N-dimethyl-6-oxidanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-sulfonamide Openeye Name: N,N-dimethyl-6-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-sulfonamide CAS Name: N,N-dimethyl-6-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyridinesulfonamide IUPAC Name: N,N-dimethyl-6-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-sulfonamide Traditional Name: 6-keto-N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-sulfonamide Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CN(C(=O)C=C1)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CN(C(=O)C=C1)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H21N3O3S/c1-18(2)24(22,23)16-7-8-17(21)20(12-16)13-19-10-9-14-5-3-4-6-15(14)11-19/h3-8,12H,9-11,13H2,1-2H3/p+1