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

Systemtic Name: butyl-[2-oxidanyl-2-oxidanylidene-1-[4-(4-pyridin-4-ylpiperazin-1-yl)cyclohexyl]ethyl]-sulfonyl-azanium Openeye Name: butyl-[2-hydroxy-2-oxo-1-[4-[4-(4-pyridyl)piperazin-1-yl]cyclohexyl]ethyl]-sulfonyl-ammonium CAS Name: butyl-[2-hydroxy-2-oxo-1-[4-(4-pyridin-4-yl-1-piperazinyl)cyclohexyl]ethyl]-sulfonylammonium IUPAC Name: butyl-[2-hydroxy-2-oxo-1-[4-(4-pyridin-4-ylpiperazin-1-yl)cyclohexyl]ethyl]-sulfonylazanium Traditional Name: butyl-[2-hydroxy-2-keto-1-[4-[4-(4-pyridyl)piperazino]cyclohexyl]ethyl]-sulfonyl-ammonium Formula: C21H33N4O4S+ MolecularWeight: 437.57612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](=S(=O)=O)C(C1CCC(CC1)N2CCN(CC2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCCC[N+](=S(=O)=O)C(C1CCC(CC1)N2CCN(CC2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C21H32N4O4S/c1-2-3-12-25(30(28)29)20(21(26)27)17-4-6-18(7-5-17)23-13-15-24(16-14-23)19-8-10-22-11-9-19/h8-11,17-18,20H,2-7,12-16H2,1H3/p+1