hexadecyl 2-(trimethylazaniumyl)ethyl phosphate; 2-(2-nitroimidazol-1-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: hexadecyl 2-(trimethylazaniumyl)ethyl phosphate; 2-(2-nitroimidazol-1-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(2-nitroimidazol-1-yl)acetamide; hexadecyl 2-(trimethylammonio)ethyl phosphate CAS Name: hexadecyl 2-(trimethylammonio)ethyl phosphate; 2-(2-nitro-1-imidazolyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(2-nitroimidazol-1-yl)acetamide; hexadecyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: N-benzyl-2-(2-nitroimidazol-1-yl)acetamide; cetyl 2-(trimethylammonio)ethyl phosphate Formula: C33H58N5O7P MolecularWeight: 667.816681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C.C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C.C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-]

InChI

InChI=1S/C21H46NO4P.C12H12N4O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4;17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h5-21H2,1-4H3;1-7H,8-9H2,(H,14,17)