(2-hexadecoxy-2-oxidanylidene-ethyl)-dimethyl-(phenylmethyl)azanium

Systemtic Name: (2-hexadecoxy-2-oxidanylidene-ethyl)-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-(2-hexadecoxy-2-oxo-ethyl)-dimethyl-ammonium CAS Name: (2-hexadecoxy-2-oxoethyl)-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hexadecoxy-2-oxoethyl)-dimethylazanium Traditional Name: benzyl-(2-cetyloxy-2-keto-ethyl)-dimethyl-ammonium Formula: C27H48NO2+ MolecularWeight: 418.67552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C27H48NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-27(29)25-28(2,3)24-26-21-18-17-19-22-26/h17-19,21-22H,4-16,20,23-25H2,1-3H3/q+1