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bis(oxidanyl)-oxidanylidene-azanium; 3-(4-phenoxybutoxy)benzenecarboximidamide

bis(oxidanyl)-oxidanylidene-azanium; 3-(4-phenoxybutoxy)benzenecarboximidamide

Systemtic Name:bis(oxidanyl)-oxidanylidene-azanium; 3-(4-phenoxybutoxy)benzenecarboximidamide
Openeye Name:dihydroxy(oxo)ammonium; 3-(4-phenoxybutoxy)benzamidine
CAS Name:dihydroxy(oxo)ammonium; 3-(4-phenoxybutoxy)benzenecarboximidamide
IUPAC Name:dihydroxy(oxo)azanium; 3-(4-phenoxybutoxy)benzenecarboximidamide
Traditional Name:dihydroxy(keto)ammonium; 3-(4-phenoxybutoxy)benzamidine
Formula: C17H22N3O5+
MolecularWeight: 348.37368
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCOC2=CC=CC(=C2)C(=N)N.[N+](=O)(O)O


Isomeric SMILES

C1=CC=C(C=C1)OCCCCOC2=CC=CC(=C2)C(=N)N.[N+](=O)(O)O


InChI

InChI=1S/C17H20N2O2.H2NO3/c18-17(19)14-7-6-10-16(13-14)21-12-5-4-11-20-15-8-2-1-3-9-15;2-1(3)4/h1-3,6-10,13H,4-5,11-12H2,(H3,18,19);(H2,2,3,4)/q;+1


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