N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,5-dimethyl-N-piperonyl-isoxazole-4-carboxamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(ON=C4C)C

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(ON=C4C)C

InChI

InChI=1S/C21H27N3O4/c1-4-23-9-5-6-17(23)12-24(21(25)20-14(2)22-28-15(20)3)11-16-7-8-18-19(10-16)27-13-26-18/h7-8,10,17H,4-6,9,11-13H2,1-3H3/p+1/t17-/m1/s1