1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(4-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(4-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(4-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[[4-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(4-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: cyclopentyl-piperonyl-(4-pyrazol-1-ylbenzyl)ammonium Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC=C(C=C2)N3C=CC=N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC=C(C=C2)N3C=CC=N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O2/c1-2-5-20(4-1)25(16-19-8-11-22-23(14-19)28-17-27-22)15-18-6-9-21(10-7-18)26-13-3-12-24-26/h3,6-14,20H,1-2,4-5,15-17H2/p+1