[3,4-bis(oxidanyl)phenyl]methyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-protocatechuyl-ammonium Formula: C14H24NO2+ MolecularWeight: 238.34586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO2/c1-10(2)4-5-11(3)15-9-12-6-7-13(16)14(17)8-12/h6-8,10-11,15-17H,4-5,9H2,1-3H3/p+1/t11-/m0/s1