dodecanoate; N-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-carboxamide; chloride

Systemtic Name: dodecanoate; N-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-carboxamide; chloride Openeye Name: dodecanoate; N-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-carboxamide; chloride CAS Name: dodecanoate; N-(2-hydroxyethyl)-2-methyl-1-pyridin-1-iumcarboxamide; chloride IUPAC Name: dodecanoate; N-(2-hydroxyethyl)-2-methylpyridin-1-ium-1-carboxamide; chloride Traditional Name: N-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-carboxamide; laurate; chloride Formula: C21H36ClN2O4- MolecularWeight: 415.97454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].CC1=CC=CC=[N+]1C(=O)NCCO.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].CC1=CC=CC=[N+]1C(=O)NCCO.[Cl-]

InChI

InChI=1S/C12H24O2.C9H12N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-8-4-2-3-6-11(8)9(13)10-5-7-12;/h2-11H2,1H3,(H,13,14);2-4,6,12H,5,7H2,1H3;1H/p-1