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

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-N,1-dimethyl-piperidin-1-ium-4-amine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]-N,1-dimethyl-piperidin-1-ium-4-amine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-N,1-dimethyl-4-piperidin-1-iumamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]-N,1-dimethylpiperidin-1-ium-4-amine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H30N4O2/c1-27-12-10-22(11-13-27)28(2)16-21-17-29(15-19-6-4-3-5-7-19)26-25(21)20-8-9-23-24(14-20)31-18-30-23/h3-9,14,17,22H,10-13,15-16,18H2,1-2H3/p+1