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

Systemtic Name: (3S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H28N4O3/c1-3-25(4-2)21(26)16-6-5-9-24(12-16)13-17-11-22-23-20(17)15-7-8-18-19(10-15)28-14-27-18/h7-8,10-11,16H,3-6,9,12-14H2,1-2H3,(H,22,23)/p+1/t16-/m0/s1