2,2-dimethylpropyl-dimethyl-(13-phenyltridec-1-en-3-yl)azanium chloride

Systemtic Name: 2,2-dimethylpropyl-dimethyl-(13-phenyltridec-1-en-3-yl)azanium chloride Openeye Name: 2,2-dimethylpropyl-dimethyl-(11-phenyl-1-vinyl-undecyl)ammonium chloride CAS Name: 2,2-dimethylpropyl-dimethyl-(13-phenyltridec-1-en-3-yl)ammonium chloride IUPAC Name: 2,2-dimethylpropyl-dimethyl-(13-phenyltridec-1-en-3-yl)azanium chloride Traditional Name: dimethyl-neopentyl-[1-(10-phenyldecyl)allyl]ammonium chloride Formula: C26H46ClN MolecularWeight: 408.10314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[N+](C)(C)C(CCCCCCCCCCC1=CC=CC=C1)C=C.[Cl-]

Isomeric SMILES

CC(C)(C)C[N+](C)(C)C(CCCCCCCCCCC1=CC=CC=C1)C=C.[Cl-]

InChI

InChI=1S/C26H46N.ClH/c1-7-25(27(5,6)23-26(2,3)4)22-18-13-11-9-8-10-12-15-19-24-20-16-14-17-21-24;/h7,14,16-17,20-21,25H,1,8-13,15,18-19,22-23H2,2-6H3;1H/q+1;/p-1