1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(3-phenylisoxazol-5-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(3-phenyl-5-isoxazolyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]azanium Traditional Name: cyclopentyl-[(3-phenylisoxazol-5-yl)methyl]-piperonyl-ammonium Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=CC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=CC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C23H24N2O3/c1-2-6-18(7-3-1)21-13-20(28-24-21)15-25(19-8-4-5-9-19)14-17-10-11-22-23(12-17)27-16-26-22/h1-3,6-7,10-13,19H,4-5,8-9,14-16H2/p+1