2-azaniumylethyl-[[3,4-bis(oxidanyl)phenyl]methyl]azanium dichloride

Systemtic Name: 2-azaniumylethyl-[[3,4-bis(oxidanyl)phenyl]methyl]azanium dichloride Openeye Name: 2-azaniumylethyl-[(3,4-dihydroxyphenyl)methyl]ammonium dichloride CAS Name: 2-ammonioethyl-[(3,4-dihydroxyphenyl)methyl]ammonium dichloride IUPAC Name: 2-azaniumylethyl-[(3,4-dihydroxyphenyl)methyl]azanium dichloride Traditional Name: 2-ammonioethyl(protocatechuyl)ammonium dichloride Formula: C9H16Cl2N2O2 MolecularWeight: 255.14154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C[NH2+]CC[NH3+])O)O.[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=C(C=C1C[NH2+]CC[NH3+])O)O.[Cl-].[Cl-]

InChI

InChI=1S/C9H14N2O2.2ClH/c10-3-4-11-6-7-1-2-8(12)9(13)5-7;;/h1-2,5,11-13H,3-4,6,10H2;2*1H