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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide Traditional Name: 2-chloro-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-piperonyl-benzamide Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H25ClN2O3/c1-2-24-11-5-6-17(24)14-25(22(26)18-7-3-4-8-19(18)23)13-16-9-10-20-21(12-16)28-15-27-20/h3-4,7-10,12,17H,2,5-6,11,13-15H2,1H3/p+1/t17-/m1/s1