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

Systemtic Name: N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/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/h3-4,6-8,10,12,14H,5,9,11,13H2,1-2H3,(H,19,22)