N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-piperonylamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O3/c1-24-12-5-8-19(15-24)16-25(13-11-18-6-3-2-4-7-18)23(26)20-9-10-21-22(14-20)28-17-27-21/h2-4,6-7,9-10,14,19H,5,8,11-13,15-17H2,1H3/p+1/t19-/m0/s1