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

Systemtic Name: (1-hexoxy-1-oxidanylidene-dodecan-2-yl)-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-(1-hexoxycarbonylundecyl)-dimethyl-ammonium CAS Name: (1-hexoxy-1-oxododecan-2-yl)-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(1-hexoxy-1-oxododecan-2-yl)-dimethylazanium Traditional Name: benzyl-(1-hexoxycarbonylundecyl)-dimethyl-ammonium Formula: C27H48NO2+ MolecularWeight: 418.67552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO2/c1-5-7-9-11-12-13-14-18-22-26(27(29)30-23-19-10-8-6-2)28(3,4)24-25-20-16-15-17-21-25/h15-17,20-21,26H,5-14,18-19,22-24H2,1-4H3/q+1