4-(3-azanyl-1H-isoindol-2-ium-2-yl)-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-(3-azanyl-1H-isoindol-2-ium-2-yl)-N,N-diethyl-benzenesulfonamide Openeye Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N,N-diethyl-benzenesulfonamide CAS Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N,N-diethylbenzenesulfonamide IUPAC Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-N,N-diethyl-benzenesulfonamide Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C18H21N3O2S/c1-3-20(4-2)24(22,23)16-11-9-15(10-12-16)21-13-14-7-5-6-8-17(14)18(21)19/h5-12,19H,3-4,13H2,1-2H3/p+1