dimethyl-(1-oxidanylidene-1-phenylmethoxy-dodecan-2-yl)-(phenylmethyl)azanium

Systemtic Name: dimethyl-(1-oxidanylidene-1-phenylmethoxy-dodecan-2-yl)-(phenylmethyl)azanium Openeye Name: benzyl-(1-benzyloxycarbonylundecyl)-dimethyl-ammonium CAS Name: dimethyl-(1-oxo-1-phenylmethoxydodecan-2-yl)-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-(1-oxo-1-phenylmethoxydodecan-2-yl)azanium Traditional Name: benzyl-(1-carbobenzoxyundecyl)-dimethyl-ammonium Formula: C28H42NO2+ MolecularWeight: 424.63858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OCC1=CC=CC=C1)[N+](C)(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC(C(=O)OCC1=CC=CC=C1)[N+](C)(C)CC2=CC=CC=C2

InChI

InChI=1S/C28H42NO2/c1-4-5-6-7-8-9-10-17-22-27(28(30)31-24-26-20-15-12-16-21-26)29(2,3)23-25-18-13-11-14-19-25/h11-16,18-21,27H,4-10,17,22-24H2,1-3H3/q+1