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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]cycloheptanecarboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]cycloheptanecarboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]cycloheptanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]cycloheptanecarboxamide Traditional Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-piperonyl-cycloheptanecarboxamide Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCCCCC4

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCCCCC4

InChI

InChI=1S/C23H34N2O3/c1-2-24-13-7-10-20(24)16-25(23(26)19-8-5-3-4-6-9-19)15-18-11-12-21-22(14-18)28-17-27-21/h11-12,14,19-20H,2-10,13,15-17H2,1H3/p+1/t20-/m1/s1