N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,5-dimethyl-N-piperonyl-pyrazole-3-carboxamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=C4)C)C

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=C4)C)C

InChI

InChI=1S/C21H28N4O3/c1-4-24-9-5-6-17(24)13-25(21(26)18-10-15(2)23(3)22-18)12-16-7-8-19-20(11-16)28-14-27-19/h7-8,10-11,17H,4-6,9,12-14H2,1-3H3/p+1/t17-/m1/s1