[(1R)-1-[2,5-bis(oxidanyl)phenyl]ethyl]-pentan-3-yl-azanium

Systemtic Name: [(1R)-1-[2,5-bis(oxidanyl)phenyl]ethyl]-pentan-3-yl-azanium Openeye Name: [(1R)-1-(2,5-dihydroxyphenyl)ethyl]-(1-ethylpropyl)ammonium CAS Name: [(1R)-1-(2,5-dihydroxyphenyl)ethyl]-pentan-3-ylammonium IUPAC Name: [(1R)-1-(2,5-dihydroxyphenyl)ethyl]-pentan-3-ylazanium Traditional Name: [(1R)-1-(2,5-dihydroxyphenyl)ethyl]-(1-ethylpropyl)ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]C(C)C1=C(C=CC(=C1)O)O

Isomeric SMILES

CCC(CC)[NH2+][C@H](C)C1=C(C=CC(=C1)O)O

InChI

InChI=1S/C13H21NO2/c1-4-10(5-2)14-9(3)12-8-11(15)6-7-13(12)16/h6-10,14-16H,4-5H2,1-3H3/p+1/t9-/m1/s1