N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-homoveratryl-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C([NH+]=CC=C2)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C([NH+]=CC=C2)N3CCCC3)OC

InChI

InChI=1S/C20H25N3O3/c1-25-17-8-7-15(14-18(17)26-2)9-11-22-20(24)16-6-5-10-21-19(16)23-12-3-4-13-23/h5-8,10,14H,3-4,9,11-13H2,1-2H3,(H,22,24)/p+1