1-(1,3-benzodioxol-4-ylmethyl)-4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C23H25N3O2/c1-2-5-17(6-3-1)13-20-14-24-25-22(20)18-9-11-26(12-10-18)15-19-7-4-8-21-23(19)28-16-27-21/h1-8,14,18H,9-13,15-16H2,(H,24,25)/p+1