hexadecoxymethyl-dimethyl-[2-(phenylcarbonyloxy)ethyl]azanium

Systemtic Name: hexadecoxymethyl-dimethyl-[2-(phenylcarbonyloxy)ethyl]azanium Openeye Name: 2-benzoyloxyethyl-(hexadecoxymethyl)-dimethyl-ammonium CAS Name: 2-benzoyloxyethyl-(hexadecoxymethyl)-dimethylammonium IUPAC Name: 2-benzoyloxyethyl-(hexadecoxymethyl)-dimethylazanium Traditional Name: 2-benzoyloxyethyl-(cetyloxymethyl)-dimethyl-ammonium Formula: C28H50NO3+ MolecularWeight: 448.7015

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC[N+](C)(C)CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[N+](C)(C)CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C28H50NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-31-26-29(2,3)23-25-32-28(30)27-21-18-17-19-22-27/h17-19,21-22H,4-16,20,23-26H2,1-3H3/q+1