[3,4-bis(oxidanyl)phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: protocatechuyl(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C14H24N2O2+2 MolecularWeight: 252.35256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC[NH2+]CC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1CC[NH+](C1)CCC[NH2+]CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H22N2O2/c17-13-5-4-12(10-14(13)18)11-15-6-3-9-16-7-1-2-8-16/h4-5,10,15,17-18H,1-3,6-9,11H2/p+2