N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=NN(C(=C4)C)C

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=NN(C(=C4)C)C

InChI

InChI=1S/C22H30N4O3/c1-4-25-9-5-6-18(25)15-26(22(27)19-12-16(2)24(3)23-19)14-17-7-8-20-21(13-17)29-11-10-28-20/h7-8,12-13,18H,4-6,9-11,14-15H2,1-3H3/p+1/t18-/m1/s1