[3-(2-butan-2-yloctanoyloxy)-2-oxidanyl-propyl]-trimethyl-azanium chloride

Systemtic Name: [3-(2-butan-2-yloctanoyloxy)-2-oxidanyl-propyl]-trimethyl-azanium chloride Openeye Name: [2-hydroxy-3-(2-sec-butyloctanoyloxy)propyl]-trimethyl-ammonium chloride CAS Name: [3-(2-butan-2-yl-1-oxooctoxy)-2-hydroxypropyl]-trimethylammonium chloride IUPAC Name: [3-(2-butan-2-yloctanoyloxy)-2-hydroxypropyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-3-(2-sec-butyloctanoyloxy)propyl]-trimethyl-ammonium chloride Formula: C18H38ClNO3 MolecularWeight: 351.95222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)CC)C(=O)OCC(C[N+](C)(C)C)O.[Cl-]

Isomeric SMILES

CCCCCCC(C(C)CC)C(=O)OCC(C[N+](C)(C)C)O.[Cl-]

InChI

InChI=1S/C18H38NO3.ClH/c1-7-9-10-11-12-17(15(3)8-2)18(21)22-14-16(20)13-19(4,5)6;/h15-17,20H,7-14H2,1-6H3;1H/q+1;/p-1