[2,4-bis(oxidanyl)phenyl]methyl-pentan-3-yl-azanium

Systemtic Name: [2,4-bis(oxidanyl)phenyl]methyl-pentan-3-yl-azanium Openeye Name: (2,4-dihydroxyphenyl)methyl-(1-ethylpropyl)ammonium CAS Name: (2,4-dihydroxyphenyl)methyl-pentan-3-ylammonium IUPAC Name: (2,4-dihydroxyphenyl)methyl-pentan-3-ylazanium Traditional Name: (2,4-dihydroxybenzyl)-(1-ethylpropyl)ammonium Formula: C12H20NO2+ MolecularWeight: 210.2927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2/c1-3-10(4-2)13-8-9-5-6-11(14)7-12(9)15/h5-7,10,13-15H,3-4,8H2,1-2H3/p+1