1-(1,3-benzodioxol-4-ylmethyl)-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)CCC3=CC=CC=C3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)CCC3=CC=CC=C3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C24H27N3O2/c1-2-5-18(6-3-1)9-10-20-15-25-26-23(20)19-11-13-27(14-12-19)16-21-7-4-8-22-24(21)29-17-28-22/h1-8,15,19H,9-14,16-17H2,(H,25,26)/p+1