1,3-benzodioxol-5-ylmethyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl-piperonyl-ammonium Formula: C22H20N3O2S+ MolecularWeight: 390.4781

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H19N3O2S/c1-2-5-18(6-3-1)25-14-17(22(24-25)21-7-4-10-28-21)13-23-12-16-8-9-19-20(11-16)27-15-26-19/h1-11,14,23H,12-13,15H2/p+1