4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]benzenesulfonamide

Systemtic Name: 4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]benzenesulfonamide Openeye Name: 4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]benzenesulfonamide CAS Name: 4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]benzenesulfonamide IUPAC Name: 4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]benzenesulfonamide Traditional Name: 4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]benzenesulfonamide Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=[NH+]1)NC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=[NH+]1)NC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C17H19N3O2S/c1-17(2)11-12-5-3-4-6-15(12)16(20-17)19-13-7-9-14(10-8-13)23(18,21)22/h3-10H,11H2,1-2H3,(H,19,20)(H2,18,21,22)/p+1