1-oxidanidyl-N-(3-phenylmethoxypropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-(3-phenylmethoxypropyl)pyridin-1-ium-3-carboxamide Openeye Name: N-(3-benzyloxypropyl)-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-(3-phenylmethoxypropyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-(3-phenylmethoxypropyl)pyridin-1-ium-3-carboxamide Traditional Name: N-(3-benzoxypropyl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C16H18N2O3/c19-16(15-8-4-10-18(20)12-15)17-9-5-11-21-13-14-6-2-1-3-7-14/h1-4,6-8,10,12H,5,9,11,13H2,(H,17,19)