N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]-piperonylamide Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C23H27N3O5/c1-29-19-7-3-2-6-17(19)18(26-10-4-5-11-26)13-24-22(27)14-25-23(28)16-8-9-20-21(12-16)31-15-30-20/h2-3,6-9,12,18H,4-5,10-11,13-15H2,1H3,(H,24,27)(H,25,28)/p+1/t18-/m0/s1