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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butyl-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methylpyrazole-3-carboxamide Traditional Name: 2-tert-butyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-N-piperonyl-pyrazole-3-carboxamide Formula: C24H35N4O3+ MolecularWeight: 427.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4C(C)(C)C)C

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4C(C)(C)C)C

InChI

InChI=1S/C24H34N4O3/c1-6-26-11-7-8-19(26)15-27(14-18-9-10-21-22(13-18)31-16-30-21)23(29)20-12-17(2)25-28(20)24(3,4)5/h9-10,12-13,19H,6-8,11,14-16H2,1-5H3/p+1/t19-/m1/s1