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

Systemtic Name: butyl-[2-oxidanyl-2-oxidanylidene-1-[1-oxidanyl-4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]ethyl]-sulfonyl-azanium Openeye Name: butyl-[2-hydroxy-1-[1-hydroxy-4-[4-[(4-pyridylamino)methyl]-1-piperidyl]cyclohexyl]-2-oxo-ethyl]-sulfonyl-ammonium CAS Name: butyl-[2-hydroxy-1-[1-hydroxy-4-[4-[(pyridin-4-ylamino)methyl]-1-piperidinyl]cyclohexyl]-2-oxoethyl]-sulfonylammonium IUPAC Name: butyl-[2-hydroxy-1-[1-hydroxy-4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]-2-oxoethyl]-sulfonylazanium Traditional Name: butyl-[2-hydroxy-1-[1-hydroxy-4-[4-[(4-pyridylamino)methyl]piperidino]cyclohexyl]-2-keto-ethyl]-sulfonyl-ammonium Formula: C23H37N4O5S+ MolecularWeight: 481.62868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](=S(=O)=O)C(C(=O)O)C1(CCC(CC1)N2CCC(CC2)CNC3=CC=NC=C3)O

Isomeric SMILES

CCCC[N+](=S(=O)=O)C(C(=O)O)C1(CCC(CC1)N2CCC(CC2)CNC3=CC=NC=C3)O

InChI

InChI=1S/C23H36N4O5S/c1-2-3-14-27(33(31)32)21(22(28)29)23(30)10-4-20(5-11-23)26-15-8-18(9-16-26)17-25-19-6-12-24-13-7-19/h6-7,12-13,18,20-21,30H,2-5,8-11,14-17H2,1H3,(H-,24,25,28,29)/p+1