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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,3-dimethyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,3-dimethyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3,3-dimethylbutanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,3-dimethylbutanamide Traditional Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,3-dimethyl-N-piperonyl-butyramide Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O3/c1-5-22-10-6-7-17(22)14-23(20(24)12-21(2,3)4)13-16-8-9-18-19(11-16)26-15-25-18/h8-9,11,17H,5-7,10,12-15H2,1-4H3/p+1/t17-/m1/s1