butyl-[2-oxidanyl-2-oxidanylidene-1-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]ethyl]-sulfonyl-azanium

Systemtic Name: butyl-[2-oxidanyl-2-oxidanylidene-1-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]ethyl]-sulfonyl-azanium Openeye Name: butyl-[2-hydroxy-2-oxo-1-[4-[4-(4-pyridylamino)-1-piperidyl]cyclohexyl]ethyl]-sulfonyl-ammonium CAS Name: butyl-[2-hydroxy-2-oxo-1-[4-[4-(pyridin-4-ylamino)-1-piperidinyl]cyclohexyl]ethyl]-sulfonylammonium IUPAC Name: butyl-[2-hydroxy-2-oxo-1-[4-[4-(pyridin-4-ylamino)piperidin-1-yl]cyclohexyl]ethyl]-sulfonylazanium Traditional Name: butyl-[2-hydroxy-2-keto-1-[4-[4-(4-pyridylamino)piperidino]cyclohexyl]ethyl]-sulfonyl-ammonium Formula: C22H35N4O4S+ MolecularWeight: 451.6027

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](=S(=O)=O)C(C1CCC(CC1)N2CCC(CC2)NC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCCC[N+](=S(=O)=O)C(C1CCC(CC1)N2CCC(CC2)NC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C22H34N4O4S/c1-2-3-14-26(31(29)30)21(22(27)28)17-4-6-20(7-5-17)25-15-10-19(11-16-25)24-18-8-12-23-13-9-18/h8-9,12-13,17,19-21H,2-7,10-11,14-16H2,1H3,(H-,23,24,27,28)/p+1