[2-methyl-3-(1-phenoxyethyl)tridecan-2-yl]azanium chloride

Systemtic Name: [2-methyl-3-(1-phenoxyethyl)tridecan-2-yl]azanium chloride Openeye Name: [1,1-dimethyl-2-(1-phenoxyethyl)dodecyl]ammonium chloride CAS Name: [2-methyl-3-(1-phenoxyethyl)tridecan-2-yl]ammonium chloride IUPAC Name: [2-methyl-3-(1-phenoxyethyl)tridecan-2-yl]azanium chloride Traditional Name: [1,1-dimethyl-2-(1-phenoxyethyl)dodecyl]ammonium chloride Formula: C22H40ClNO MolecularWeight: 370.0121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(C)OC1=CC=CC=C1)C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCC(C(C)OC1=CC=CC=C1)C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C22H39NO.ClH/c1-5-6-7-8-9-10-11-15-18-21(22(3,4)23)19(2)24-20-16-13-12-14-17-20;/h12-14,16-17,19,21H,5-11,15,18,23H2,1-4H3;1H