dimethyl-[(3-oxidanidylbenzotriazol-3-ium-1-yl)-pyrrolidin-1-yl-methylidene]azanium hexafluorophosphate

Systemtic Name: dimethyl-[(3-oxidanidylbenzotriazol-3-ium-1-yl)-pyrrolidin-1-yl-methylidene]azanium hexafluorophosphate Openeye Name: dimethyl-[(3-oxidobenzotriazol-3-ium-1-yl)-pyrrolidin-1-yl-methylene]ammonium hexafluorophosphate CAS Name: dimethyl-[(3-oxido-1-benzotriazol-3-iumyl)-(1-pyrrolidinyl)methylidene]ammonium hexafluorophosphate IUPAC Name: dimethyl-[(3-oxidobenzotriazol-3-ium-1-yl)-pyrrolidin-1-ylmethylidene]azanium hexafluorophosphate Traditional Name: dimethyl-[(3-oxidobenzotriazol-3-ium-1-yl)-pyrrolidino-methylene]ammonium hexafluorophosphate Formula: C13H18F6N5OP MolecularWeight: 405.2791

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C(N1CCCC1)N2C3=CC=CC=C3[N+](=N2)[O-])C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C[N+](=C(N1CCCC1)N2C3=CC=CC=C3[N+](=N2)[O-])C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C13H18N5O.F6P/c1-15(2)13(16-9-5-6-10-16)17-11-7-3-4-8-12(11)18(19)14-17;1-7(2,3,4,5)6/h3-4,7-8H,5-6,9-10H2,1-2H3;/q+1;-1