1-(3-oxidanylpropoxy)pentadecan-4-yl-(phenylmethyl)azanium dichloride

Systemtic Name: 1-(3-oxidanylpropoxy)pentadecan-4-yl-(phenylmethyl)azanium dichloride Openeye Name: benzyl-[1-[3-(3-hydroxypropoxy)propyl]dodecyl]ammonium dichloride CAS Name: 1-(3-hydroxypropoxy)pentadecan-4-yl-(phenylmethyl)ammonium dichloride IUPAC Name: benzyl-[1-(3-hydroxypropoxy)pentadecan-4-yl]azanium dichloride Traditional Name: benzyl-[1-[3-(3-hydroxypropoxy)propyl]dodecyl]ammonium dichloride Formula: C50H92Cl2N2O4 MolecularWeight: 856.18248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCOCCCO)[NH2+]CC1=CC=CC=C1.CCCCCCCCCCCC(CCCOCCCO)[NH2+]CC1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(CCCOCCCO)[NH2+]CC1=CC=CC=C1.CCCCCCCCCCCC(CCCOCCCO)[NH2+]CC1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/2C25H45NO2.2ClH/c2*1-2-3-4-5-6-7-8-9-13-18-25(19-14-21-28-22-15-20-27)26-23-24-16-11-10-12-17-24;;/h2*10-12,16-17,25-27H,2-9,13-15,18-23H2,1H3;2*1H