2-[2-[(E)-octadec-9-enyl]phenyl]propan-2-ylazanium chloride

Systemtic Name: 2-[2-[(E)-octadec-9-enyl]phenyl]propan-2-ylazanium chloride Openeye Name: [1-methyl-1-[2-[(E)-octadec-9-enyl]phenyl]ethyl]ammonium chloride CAS Name: 2-[2-[(E)-octadec-9-enyl]phenyl]propan-2-ylammonium chloride IUPAC Name: 2-[2-[(E)-octadec-9-enyl]phenyl]propan-2-ylazanium chloride Traditional Name: [1-methyl-1-[2-[(E)-octadec-9-enyl]phenyl]ethyl]ammonium chloride Formula: C27H48ClN MolecularWeight: 422.12972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C27H47N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24-26(25)27(2,3)28;/h11-12,20-21,23-24H,4-10,13-19,22,28H2,1-3H3;1H/b12-11+;