[5-(phenylmethyl)-4-propyl-heptadecan-4-yl]azanium chloride

Systemtic Name: [5-(phenylmethyl)-4-propyl-heptadecan-4-yl]azanium chloride Openeye Name: (2-benzyl-1,1-dipropyl-tetradecyl)ammonium chloride CAS Name: [5-(phenylmethyl)-4-propylheptadecan-4-yl]ammonium chloride IUPAC Name: (5-benzyl-4-propylheptadecan-4-yl)azanium chloride Traditional Name: (2-benzyl-1,1-dipropyl-tetradecyl)ammonium chloride Formula: C27H50ClN MolecularWeight: 424.1456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC1=CC=CC=C1)C(CCC)(CCC)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(CC1=CC=CC=C1)C(CCC)(CCC)[NH3+].[Cl-]

InChI

InChI=1S/C27H49N.ClH/c1-4-7-8-9-10-11-12-13-14-18-21-26(24-25-19-16-15-17-20-25)27(28,22-5-2)23-6-3;/h15-17,19-20,26H,4-14,18,21-24,28H2,1-3H3;1H