N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide; ethanedioic acid

Systemtic Name: N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide; ethanedioic acid Openeye Name: N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide; oxalic acid CAS Name: N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide; oxalic acid IUPAC Name: N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide; oxalic acid Traditional Name: N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide; oxalic acid Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O3.C2H2O4/c1-20(2)13-15-6-3-8-17(12-15)24-11-5-9-19-18(22)16-7-4-10-21(23)14-16;3-1(4)2(5)6/h3-4,6-8,10,12,14H,5,9,11,13H2,1-2H3,(H,19,22);(H,3,4)(H,5,6)