N-(2-hydroxyethyl)-2-pyridin-1-ium-1-yl-ethanamide; octadecanoate; hydrochloride

Systemtic Name: N-(2-hydroxyethyl)-2-pyridin-1-ium-1-yl-ethanamide; octadecanoate; hydrochloride Openeye Name: N-(2-hydroxyethyl)-2-pyridin-1-ium-1-yl-acetamide; octadecanoate; hydrochloride CAS Name: N-(2-hydroxyethyl)-2-(1-pyridin-1-iumyl)acetamide; octadecanoate; hydrochloride IUPAC Name: N-(2-hydroxyethyl)-2-pyridin-1-ium-1-ylacetamide; octadecanoate; hydrochloride Traditional Name: N-(2-hydroxyethyl)-2-pyridin-1-ium-1-yl-acetamide; stearate; hydrochloride Formula: C27H49ClN2O4 MolecularWeight: 501.14196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=[N+](C=C1)CC(=O)NCCO.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=[N+](C=C1)CC(=O)NCCO.Cl

InChI

InChI=1S/C18H36O2.C9H12N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;12-7-4-10-9(13)8-11-5-2-1-3-6-11;/h2-17H2,1H3,(H,19,20);1-3,5-6,12H,4,7-8H2;1H