(4-chlorophenyl)methyl-dimethyl-[3-(octadecanoylamino)propyl]azanium

Systemtic Name: (4-chlorophenyl)methyl-dimethyl-[3-(octadecanoylamino)propyl]azanium Openeye Name: (4-chlorophenyl)methyl-dimethyl-[3-(octadecanoylamino)propyl]ammonium CAS Name: (4-chlorophenyl)methyl-dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: (4-chlorophenyl)methyl-dimethyl-[3-(octadecanoylamino)propyl]azanium Traditional Name: (4-chlorobenzyl)-dimethyl-(3-stearamidopropyl)ammonium Formula: C30H54ClN2O+ MolecularWeight: 494.21556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C30H53ClN2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30(34)32-25-19-26-33(2,3)27-28-21-23-29(31)24-22-28/h21-24H,4-20,25-27H2,1-3H3/p+1