(2-azanyl-1,3-diethyl-pyridin-1-ium-4-yl) octadecanoate chloride

Systemtic Name: (2-azanyl-1,3-diethyl-pyridin-1-ium-4-yl) octadecanoate chloride Openeye Name: (2-amino-1,3-diethyl-pyridin-1-ium-4-yl) octadecanoate chloride CAS Name: octadecanoic acid (2-amino-1,3-diethyl-4-pyridin-1-iumyl) ester chloride IUPAC Name: (2-amino-1,3-diethylpyridin-1-ium-4-yl) octadecanoate chloride Traditional Name: stearic acid (2-amino-1,3-diethyl-pyridin-1-ium-4-yl) ester chloride Formula: C27H49ClN2O2 MolecularWeight: 469.14316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=[N+](C=C1)CC)N)CC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=[N+](C=C1)CC)N)CC.[Cl-]

InChI

InChI=1S/C27H48N2O2.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)31-25-22-23-29(6-3)27(28)24(25)5-2;/h22-23,28H,4-21H2,1-3H3;1H