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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CC4=CSC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CC4=CSC=C4)C5=CC=CC=C5

InChI

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