N-(octoxymethoxymethyl)-1-(octoxymethyl)pyridin-1-ium-3-carboxamide chloride

Systemtic Name: N-(octoxymethoxymethyl)-1-(octoxymethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: N-(octoxymethoxymethyl)-1-(octoxymethyl)pyridin-1-ium-3-carboxamide chloride CAS Name: N-(octoxymethoxymethyl)-1-(octoxymethyl)-3-pyridin-1-iumcarboxamide chloride IUPAC Name: N-(octoxymethoxymethyl)-1-(octoxymethyl)pyridin-1-ium-3-carboxamide chloride Traditional Name: N-(octoxymethoxymethyl)-1-(octoxymethyl)pyridin-1-ium-3-carboxamide chloride Formula: C25H45ClN2O4 MolecularWeight: 473.0888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC[N+]1=CC=CC(=C1)C(=O)NCOCOCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCOC[N+]1=CC=CC(=C1)C(=O)NCOCOCCCCCCCC.[Cl-]

InChI

InChI=1S/C25H44N2O4.ClH/c1-3-5-7-9-11-13-18-29-22-27-17-15-16-24(20-27)25(28)26-21-31-23-30-19-14-12-10-8-6-4-2;/h15-17,20H,3-14,18-19,21-23H2,1-2H3;1H