[3,4-bis(oxidanyl)phenyl]methyl-[(1R,2S)-2-methylcyclohexyl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(1R,2S)-2-methylcyclohexyl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium Traditional Name: [(1R,2S)-2-methylcyclohexyl]-protocatechuyl-ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC2=CC(=C(C=C2)O)O

Isomeric SMILES

C[C@H]1CCCC[C@H]1[NH2+]CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H21NO2/c1-10-4-2-3-5-12(10)15-9-11-6-7-13(16)14(17)8-11/h6-8,10,12,15-17H,2-5,9H2,1H3/p+1/t10-,12+/m0/s1