dimethyl-[2-(3-methyl-5-phenyl-pentoxy)-2-oxidanylidene-ethyl]-[3-(octadecanoylamino)propyl]azanium

Systemtic Name: dimethyl-[2-(3-methyl-5-phenyl-pentoxy)-2-oxidanylidene-ethyl]-[3-(octadecanoylamino)propyl]azanium Openeye Name: dimethyl-[2-(3-methyl-5-phenyl-pentoxy)-2-oxo-ethyl]-[3-(octadecanoylamino)propyl]ammonium CAS Name: dimethyl-[2-(3-methyl-5-phenylpentoxy)-2-oxoethyl]-[3-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: dimethyl-[2-(3-methyl-5-phenylpentoxy)-2-oxoethyl]-[3-(octadecanoylamino)propyl]azanium Traditional Name: [2-keto-2-(3-methyl-5-phenyl-pentoxy)ethyl]-dimethyl-(3-stearamidopropyl)ammonium Formula: C37H67N2O3+ MolecularWeight: 587.93948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCC(C)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCC(C)CCC1=CC=CC=C1

InChI

InChI=1S/C37H66N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-36(40)38-30-23-31-39(3,4)33-37(41)42-32-29-34(2)27-28-35-24-20-19-21-25-35/h19-21,24-25,34H,5-18,22-23,26-33H2,1-4H3/p+1