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

Systemtic Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C22H29N5O3/c23-21(28)22(27-8-2-1-3-9-27)6-10-26(11-7-22)14-17-13-24-25-20(17)16-4-5-18-19(12-16)30-15-29-18/h4-5,12-13H,1-3,6-11,14-15H2,(H2,23,28)(H,24,25)/p+1