[3,4-bis(oxidanyl)phenyl]methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-(4-hydroxycyclohexyl)ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-(4-hydroxycyclohexyl)azanium Traditional Name: (4-hydroxycyclohexyl)-protocatechuyl-ammonium Formula: C13H20NO3+ MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1[NH2+]CC2=CC(=C(C=C2)O)O)O

Isomeric SMILES

C1CC(CCC1[NH2+]CC2=CC(=C(C=C2)O)O)O

InChI

InChI=1S/C13H19NO3/c15-11-4-2-10(3-5-11)14-8-9-1-6-12(16)13(17)7-9/h1,6-7,10-11,14-17H,2-5,8H2/p+1