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

Systemtic Name:	[5-(phenylmethyl)-4-propyl-henicosan-4-yl]azanium chloride
Openeye Name:	(2-benzyl-1,1-dipropyl-octadecyl)ammonium chloride
CAS Name:	[5-(phenylmethyl)-4-propylheneicosan-4-yl]ammonium chloride
IUPAC Name:	(5-benzyl-4-propylhenicosan-4-yl)azanium chloride
Traditional Name:	(2-benzyl-1,1-dipropyl-octadecyl)ammonium chloride
Formula:	C₃₁H₅₈ClN
MolecularWeight:	480.25192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(28-29-23-20-19-21-24-29)31(32,26-5-2)27-6-3;/h19-21,23-24,30H,4-18,22,25-28,32H2,1-3H3;1H

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