3-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylammonio]propyl-dimethyl-ammonium Formula: C23H28N4O+2 MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-26(2)14-8-13-24-16-19-17-27(20-10-4-3-5-11-20)25-23(19)22-15-18-9-6-7-12-21(18)28-22/h3-7,9-12,15,17,24H,8,13-14,16H2,1-2H3/p+2