N-(2-hydroxyethyl)-N-octan-2-yl-2-pyridin-1-ium-1-yl-ethanamide chloride

Systemtic Name: N-(2-hydroxyethyl)-N-octan-2-yl-2-pyridin-1-ium-1-yl-ethanamide chloride Openeye Name: N-(2-hydroxyethyl)-N-(1-methylheptyl)-2-pyridin-1-ium-1-yl-acetamide chloride CAS Name: N-(2-hydroxyethyl)-N-octan-2-yl-2-(1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-(2-hydroxyethyl)-N-octan-2-yl-2-pyridin-1-ium-1-ylacetamide chloride Traditional Name: N-(2-hydroxyethyl)-N-(1-methylheptyl)-2-pyridin-1-ium-1-yl-acetamide chloride Formula: C17H29ClN2O2 MolecularWeight: 328.87736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N(CCO)C(=O)C[N+]1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCC(C)N(CCO)C(=O)C[N+]1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C17H29N2O2.ClH/c1-3-4-5-7-10-16(2)19(13-14-20)17(21)15-18-11-8-6-9-12-18;/h6,8-9,11-12,16,20H,3-5,7,10,13-15H2,1-2H3;1H/q+1;/p-1