dimethyl-[1-(octylamino)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: dimethyl-[1-(octylamino)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-dimethyl-[1-methyl-2-(octylamino)-2-oxo-ethyl]ammonium CAS Name: dimethyl-[1-(octylamino)-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-[1-(octylamino)-1-oxopropan-2-yl]azanium Traditional Name: benzyl-[2-keto-1-methyl-2-(octylamino)ethyl]-dimethyl-ammonium Formula: C20H35N2O+ MolecularWeight: 319.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O/c1-5-6-7-8-9-13-16-21-20(23)18(2)22(3,4)17-19-14-11-10-12-15-19/h10-12,14-15,18H,5-9,13,16-17H2,1-4H3/p+1