1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]-piperonyl-ammonium Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N3O3/c28-24(27-13-12-21(25-27)19-6-2-1-3-7-19)16-26(20-8-4-5-9-20)15-18-10-11-22-23(14-18)30-17-29-22/h1-3,6-7,10-11,14,20H,4-5,8-9,12-13,15-17H2/p+1