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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C([NH+]=CC=C2)N3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C([NH+]=CC=C2)N3CCCC3)OCC

InChI

InChI=1S/C22H29N3O3/c1-3-27-19-10-9-17(16-20(19)28-4-2)11-13-24-22(26)18-8-7-12-23-21(18)25-14-5-6-15-25/h7-10,12,16H,3-6,11,13-15H2,1-2H3,(H,24,26)/p+1