bis(oxidanyl)-oxidanylidene-azanium; 2-[4-(3-phenylpropoxy)phenyl]guanidine

Systemtic Name: bis(oxidanyl)-oxidanylidene-azanium; 2-[4-(3-phenylpropoxy)phenyl]guanidine Openeye Name: dihydroxy(oxo)ammonium; 2-[4-(3-phenylpropoxy)phenyl]guanidine CAS Name: dihydroxy(oxo)ammonium; 2-[4-(3-phenylpropoxy)phenyl]guanidine IUPAC Name: dihydroxy(oxo)azanium; 2-[4-(3-phenylpropoxy)phenyl]guanidine Traditional Name: dihydroxy(keto)ammonium; 2-[4-(3-phenylpropoxy)phenyl]guanidine Formula: C16H21N4O4+ MolecularWeight: 333.36234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=C(C=C2)N=C(N)N.[N+](=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=C(C=C2)N=C(N)N.[N+](=O)(O)O

InChI

InChI=1S/C16H19N3O.H2NO3/c17-16(18)19-14-8-10-15(11-9-14)20-12-4-7-13-5-2-1-3-6-13;2-1(3)4/h1-3,5-6,8-11H,4,7,12H2,(H4,17,18,19);(H2,2,3,4)/q;+1