4-azaniumylbutyl-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propyl]azanium

Systemtic Name: 4-azaniumylbutyl-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propyl]azanium Openeye Name: 4-azaniumylbutyl-[3-[(3,4-dihydroxybenzoyl)amino]propyl]ammonium CAS Name: 4-ammoniobutyl-[3-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]propyl]ammonium IUPAC Name: 4-azaniumylbutyl-[3-[(3,4-dihydroxybenzoyl)amino]propyl]azanium Traditional Name: 4-ammoniobutyl-[3-(protocatechuoylamino)propyl]ammonium Formula: C14H25N3O3+2 MolecularWeight: 283.3666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCC[NH2+]CCCC[NH3+])O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCC[NH2+]CCCC[NH3+])O)O

InChI

InChI=1S/C14H23N3O3/c15-6-1-2-7-16-8-3-9-17-14(20)11-4-5-12(18)13(19)10-11/h4-5,10,16,18-19H,1-3,6-9,15H2,(H,17,20)/p+2