6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H23N3O2S/c1-3-21(4-2)24(22,23)17-9-10-18(19-13-17)20-12-11-15-7-5-6-8-16(15)14-20/h5-10,13H,3-4,11-12,14H2,1-2H3/p+1