1-(dodecoxymethyl)pyridin-1-ium-3-carboxamide ethanoate

Systemtic Name: 1-(dodecoxymethyl)pyridin-1-ium-3-carboxamide ethanoate Openeye Name: 1-(dodecoxymethyl)pyridin-1-ium-3-carboxamide acetate CAS Name: 1-(dodecoxymethyl)-3-pyridin-1-iumcarboxamide acetate IUPAC Name: 1-(dodecoxymethyl)pyridin-1-ium-3-carboxamide acetate Traditional Name: 1-(lauryloxymethyl)pyridin-1-ium-3-carboxamide acetate Formula: C21H36N2O4 MolecularWeight: 380.52154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC[N+]1=CC=CC(=C1)C(=O)N.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC[N+]1=CC=CC(=C1)C(=O)N.CC(=O)[O-]

InChI

InChI=1S/C19H32N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-15-23-17-21-14-12-13-18(16-21)19(20)22;1-2(3)4/h12-14,16H,2-11,15,17H2,1H3,(H-,20,22);1H3,(H,3,4)