(3R)-1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-N,N-diethyl-1-piperonyl-piperidin-1-ium-3-carboxamide Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1CCC[NH+](C1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H26N2O3/c1-3-20(4-2)18(21)15-6-5-9-19(12-15)11-14-7-8-16-17(10-14)23-13-22-16/h7-8,10,15H,3-6,9,11-13H2,1-2H3/p+1/t15-/m1/s1