N-(hexoxymethoxymethyl)-1-(hexoxymethyl)pyridin-1-ium-3-carboxamide chloride

Systemtic Name: N-(hexoxymethoxymethyl)-1-(hexoxymethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: N-(hexoxymethoxymethyl)-1-(hexoxymethyl)pyridin-1-ium-3-carboxamide chloride CAS Name: N-(hexoxymethoxymethyl)-1-(hexoxymethyl)-3-pyridin-1-iumcarboxamide chloride IUPAC Name: N-(hexoxymethoxymethyl)-1-(hexoxymethyl)pyridin-1-ium-3-carboxamide chloride Traditional Name: N-(hexoxymethoxymethyl)-1-(hexoxymethyl)pyridin-1-ium-3-carboxamide chloride Formula: C21H37ClN2O4 MolecularWeight: 416.98248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC[N+]1=CC=CC(=C1)C(=O)NCOCOCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCOC[N+]1=CC=CC(=C1)C(=O)NCOCOCCCCCC.[Cl-]

InChI

InChI=1S/C21H36N2O4.ClH/c1-3-5-7-9-14-25-18-23-13-11-12-20(16-23)21(24)22-17-27-19-26-15-10-8-6-4-2;/h11-13,16H,3-10,14-15,17-19H2,1-2H3;1H