[1-[[[3,4-bis(oxidanyl)phenyl]methylazaniumyl]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[[3,4-bis(oxidanyl)phenyl]methylazaniumyl]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[(3,4-dihydroxyphenyl)methylammonio]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[(3,4-dihydroxyphenyl)methylammonio]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[(3,4-dihydroxyphenyl)methylazaniumyl]methyl]cyclohexyl]-dimethylazanium Traditional Name: dimethyl-[1-[(protocatechuylammonio)methyl]cyclohexyl]ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)C[NH2+]CC2=CC(=C(C=C2)O)O

Isomeric SMILES

C[NH+](C)C1(CCCCC1)C[NH2+]CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C16H26N2O2/c1-18(2)16(8-4-3-5-9-16)12-17-11-13-6-7-14(19)15(20)10-13/h6-7,10,17,19-20H,3-5,8-9,11-12H2,1-2H3/p+2