3-[[3,4-bis(oxidanyl)phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(3,4-dihydroxyphenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(3,4-dihydroxyphenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(3,4-dihydroxyphenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: dimethyl-[3-(protocatechuylammonio)propyl]ammonium Formula: C12H22N2O2+2 MolecularWeight: 226.31528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O2/c1-14(2)7-3-6-13-9-10-4-5-11(15)12(16)8-10/h4-5,8,13,15-16H,3,6-7,9H2,1-2H3/p+2