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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-piperonyl-piperazin-1-ium Formula: C23H26ClN4O2+ MolecularWeight: 425.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H25ClN4O2/c1-17-20(23(24)28(25-17)19-5-3-2-4-6-19)15-27-11-9-26(10-12-27)14-18-7-8-21-22(13-18)30-16-29-21/h2-8,13H,9-12,14-16H2,1H3/p+1