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

Systemtic Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N4O3/c25-24(29)18-8-10-27(11-9-18)14-20-15-28(13-17-4-2-1-3-5-17)26-23(20)19-6-7-21-22(12-19)31-16-30-21/h1-7,12,15,18H,8-11,13-14,16H2,(H2,25,29)/p+1