2-[3-(1,1-dimethylimidazol-1-ium-2-yl)piperidin-4-yl]benzenesulfonamide

Systemtic Name: 2-[3-(1,1-dimethylimidazol-1-ium-2-yl)piperidin-4-yl]benzenesulfonamide Openeye Name: 2-[3-(1,1-dimethylimidazol-1-ium-2-yl)-4-piperidyl]benzenesulfonamide CAS Name: 2-[3-(1,1-dimethyl-2-imidazol-1-iumyl)-4-piperidinyl]benzenesulfonamide IUPAC Name: 2-[3-(1,1-dimethylimidazol-1-ium-2-yl)piperidin-4-yl]benzenesulfonamide Traditional Name: 2-[3-(1,1-dimethylimidazol-1-ium-2-yl)-4-piperidyl]benzenesulfonamide Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CN=C1C2CNCCC2C3=CC=CC=C3S(=O)(=O)N)C

Isomeric SMILES

C[N+]1(C=CN=C1C2CNCCC2C3=CC=CC=C3S(=O)(=O)N)C

InChI

InChI=1S/C16H23N4O2S/c1-20(2)10-9-19-16(20)14-11-18-8-7-12(14)13-5-3-4-6-15(13)23(17,21)22/h3-6,9-10,12,14,18H,7-8,11H2,1-2H3,(H2,17,21,22)/q+1