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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-piperonyl-ammonium Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](C)CC2=CC3=C(C=C2)OCO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+](C)CC2=CC3=C(C=C2)OCO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN3O2/c1-14-17(20(21)24(22-14)16-6-4-3-5-7-16)12-23(2)11-15-8-9-18-19(10-15)26-13-25-18/h3-10H,11-13H2,1-2H3/p+1