[3,4-bis(oxidanyl)phenyl]methyl-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-protocatechuyl-ammonium Formula: C15H26NO2+ MolecularWeight: 252.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO2/c1-11(2)5-4-6-12(3)16-10-13-7-8-14(17)15(18)9-13/h7-9,11-12,16-18H,4-6,10H2,1-3H3/p+1/t12-/m0/s1