1,3-benzodioxol-5-yl-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O3/c1-14(2)8-17-10-18(23-22-17)12-24-7-3-4-16(11-24)21(25)15-5-6-19-20(9-15)27-13-26-19/h5-6,9-10,14,16H,3-4,7-8,11-13H2,1-2H3,(H,22,23)/p+1/t16-/m0/s1