N-[3-[4-(dimethylaminomethyl)pyridin-2-yl]oxypropyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-[4-(dimethylaminomethyl)pyridin-2-yl]oxypropyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[[4-(dimethylaminomethyl)-2-pyridyl]oxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[[4-(dimethylaminomethyl)-2-pyridinyl]oxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[4-(dimethylaminomethyl)pyridin-2-yl]oxypropyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[[4-(dimethylaminomethyl)-2-pyridyl]oxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-20(2)12-14-6-8-18-16(11-14)24-10-4-7-19-17(22)15-5-3-9-21(23)13-15/h3,5-6,8-9,11,13H,4,7,10,12H2,1-2H3,(H,19,22)