N-[2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[[(2R)-2-(4-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=C(C=C1)C(CNC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c1-29-18-7-4-16(5-8-18)19(26-10-2-3-11-26)13-24-22(27)14-25-23(28)17-6-9-20-21(12-17)31-15-30-20/h4-9,12,19H,2-3,10-11,13-15H2,1H3,(H,24,27)(H,25,28)/p+1/t19-/m0/s1