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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3O2S/c1-2-25(20-10-4-3-5-11-20)28(26,27)21-12-13-22(23-16-21)24-15-14-18-8-6-7-9-19(18)17-24/h3-13,16H,2,14-15,17H2,1H3/p+1