[2,4-bis(oxidanyl)phenyl]methyl-[2-(2-methylpropanoylamino)ethyl]azanium

Systemtic Name: [2,4-bis(oxidanyl)phenyl]methyl-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: (2,4-dihydroxyphenyl)methyl-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: (2,4-dihydroxyphenyl)methyl-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: (2,4-dihydroxyphenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: (2,4-dihydroxybenzyl)-[2-(isobutyrylamino)ethyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]CC1=C(C=C(C=C1)O)O

Isomeric SMILES

CC(C)C(=O)NCC[NH2+]CC1=C(C=C(C=C1)O)O

InChI

InChI=1S/C13H20N2O3/c1-9(2)13(18)15-6-5-14-8-10-3-4-11(16)7-12(10)17/h3-4,7,9,14,16-17H,5-6,8H2,1-2H3,(H,15,18)/p+1