[(1S)-1-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-2-piperazin-1-yl-ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-1-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-2-piperazin-1-yl-ethyl]-butyl-methyl-azanium Openeye Name: butyl-[(1S)-1-(2,4-dihydroxyphenyl)-2-oxo-2-piperazin-1-yl-ethyl]-methyl-ammonium CAS Name: butyl-[(1S)-1-(2,4-dihydroxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]-methylammonium IUPAC Name: butyl-[(1S)-1-(2,4-dihydroxyphenyl)-2-oxo-2-piperazin-1-ylethyl]-methylazanium Traditional Name: butyl-[(1S)-1-(2,4-dihydroxyphenyl)-2-keto-2-piperazino-ethyl]-methyl-ammonium Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C1=C(C=C(C=C1)O)O)C(=O)N2CCNCC2

Isomeric SMILES

CCCC[NH+](C)[C@@H](C1=C(C=C(C=C1)O)O)C(=O)N2CCNCC2

InChI

InChI=1S/C17H27N3O3/c1-3-4-9-19(2)16(14-6-5-13(21)12-15(14)22)17(23)20-10-7-18-8-11-20/h5-6,12,16,18,21-22H,3-4,7-11H2,1-2H3/p+1/t16-/m0/s1