[2-azanyl-1-(2-dodecanoylphenyl)-2-oxidanylidene-ethyl]-dimethyl-[2-(methylamino)ethyl]azanium

Systemtic Name: [2-azanyl-1-(2-dodecanoylphenyl)-2-oxidanylidene-ethyl]-dimethyl-[2-(methylamino)ethyl]azanium Openeye Name: [2-amino-1-(2-dodecanoylphenyl)-2-oxo-ethyl]-dimethyl-[2-(methylamino)ethyl]ammonium CAS Name: [2-amino-2-oxo-1-[2-(1-oxododecyl)phenyl]ethyl]-dimethyl-[2-(methylamino)ethyl]ammonium IUPAC Name: [2-amino-1-(2-dodecanoylphenyl)-2-oxoethyl]-dimethyl-[2-(methylamino)ethyl]azanium Traditional Name: [2-amino-2-keto-1-(2-lauroylphenyl)ethyl]-dimethyl-[2-(methylamino)ethyl]ammonium Formula: C25H44N3O2+ MolecularWeight: 418.63576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CC=CC=C1C(C(=O)N)[N+](C)(C)CCNC

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CC=CC=C1C(C(=O)N)[N+](C)(C)CCNC

InChI

InChI=1S/C25H43N3O2/c1-5-6-7-8-9-10-11-12-13-18-23(29)21-16-14-15-17-22(21)24(25(26)30)28(3,4)20-19-27-2/h14-17,24,27H,5-13,18-20H2,1-4H3,(H-,26,30)/p+1