dimethyl-(2-oxidanyl-3-tridecoxy-propyl)-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-(2-oxidanyl-3-tridecoxy-propyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-(2-hydroxy-3-tridecoxy-propyl)-dimethyl-ammonium chloride CAS Name: (2-hydroxy-3-tridecoxypropyl)-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(2-hydroxy-3-tridecoxypropyl)-dimethylazanium chloride Traditional Name: benzyl-(2-hydroxy-3-tridecoxy-propyl)-dimethyl-ammonium chloride Formula: C25H46ClNO2 MolecularWeight: 428.09124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOCC(C[N+](C)(C)CC1=CC=CC=C1)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCOCC(C[N+](C)(C)CC1=CC=CC=C1)O.[Cl-]

InChI

InChI=1S/C25H46NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-28-23-25(27)22-26(2,3)21-24-18-15-14-16-19-24;/h14-16,18-19,25,27H,4-13,17,20-23H2,1-3H3;1H/q+1;/p-1