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

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-piperonylamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-24(2)18-8-5-16(6-9-18)19(25-11-3-4-12-25)14-23-22(26)17-7-10-20-21(13-17)28-15-27-20/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1