[2-(hexadecylamino)-2-oxidanylidene-ethyl]-dimethyl-(phenylmethyl)azanium

Systemtic Name: [2-(hexadecylamino)-2-oxidanylidene-ethyl]-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(hexadecylamino)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-(hexadecylamino)-2-oxoethyl]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(hexadecylamino)-2-oxoethyl]-dimethylazanium Traditional Name: benzyl-[2-(cetylamino)-2-keto-ethyl]-dimethyl-ammonium Formula: C27H49N2O+ MolecularWeight: 417.69076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-27(30)25-29(2,3)24-26-21-18-17-19-22-26/h17-19,21-22H,4-16,20,23-25H2,1-3H3/p+1