3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylammonio]propyl-dimethyl-ammonium Formula: C23H30N4O2+2 MolecularWeight: 394.5099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2/c1-26(2)12-6-11-24-16-19-17-27(20-7-4-3-5-8-20)25-23(19)18-9-10-21-22(15-18)29-14-13-28-21/h3-5,7-10,15,17,24H,6,11-14,16H2,1-2H3/p+2