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

Systemtic Name: dimethyl-[2-(octadecylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-dimethyl-[2-(octadecylamino)-2-oxo-ethyl]ammonium CAS Name: dimethyl-[2-(octadecylamino)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-[2-(octadecylamino)-2-oxoethyl]azanium Traditional Name: benzyl-[2-keto-2-(stearylamino)ethyl]-dimethyl-ammonium Formula: C29H53N2O+ MolecularWeight: 445.74392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30-29(32)27-31(2,3)26-28-23-20-19-21-24-28/h19-21,23-24H,4-18,22,25-27H2,1-3H3/p+1