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

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[(3,4-dihydroxyphenyl)methylammonio]propyl-diethyl-ammonium CAS Name: 3-[(3,4-dihydroxyphenyl)methylammonio]propyl-diethylammonium IUPAC Name: 3-[(3,4-dihydroxyphenyl)methylazaniumyl]propyl-diethylazanium Traditional Name: diethyl-[3-(protocatechuylammonio)propyl]ammonium Formula: C14H26N2O2+2 MolecularWeight: 254.36844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O2/c1-3-16(4-2)9-5-8-15-11-12-6-7-13(17)14(18)10-12/h6-7,10,15,17-18H,3-5,8-9,11H2,1-2H3/p+2