1-(1H-indazol-5-yl)-1-(phenylsulfonyl)piperidin-1-ium-3-amine

Systemtic Name: 1-(1H-indazol-5-yl)-1-(phenylsulfonyl)piperidin-1-ium-3-amine Openeye Name: 1-(benzenesulfonyl)-1-(1H-indazol-5-yl)piperidin-1-ium-3-amine CAS Name: 1-(benzenesulfonyl)-1-(1H-indazol-5-yl)-3-piperidin-1-iumamine IUPAC Name: 1-(benzenesulfonyl)-1-(1H-indazol-5-yl)piperidin-1-ium-3-amine Traditional Name: [1-besyl-1-(1H-indazol-5-yl)piperidin-1-ium-3-yl]amine Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](C1)(C2=CC3=C(C=C2)NN=C3)S(=O)(=O)C4=CC=CC=C4)N

Isomeric SMILES

C1CC(C[N+](C1)(C2=CC3=C(C=C2)NN=C3)S(=O)(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C18H21N4O2S/c19-15-5-4-10-22(13-15,25(23,24)17-6-2-1-3-7-17)16-8-9-18-14(11-16)12-20-21-18/h1-3,6-9,11-12,15H,4-5,10,13,19H2,(H,20,21)/q+1