(3-azanyl-3-oxidanylidene-propanoyl)-bis[3,4-bis(trifluoromethyl)phenyl]-butyl-azanium

Systemtic Name: (3-azanyl-3-oxidanylidene-propanoyl)-bis[3,4-bis(trifluoromethyl)phenyl]-butyl-azanium Openeye Name: (3-amino-3-oxo-propanoyl)-bis[3,4-bis(trifluoromethyl)phenyl]-butyl-ammonium CAS Name: (3-amino-1,3-dioxopropyl)-bis[3,4-bis(trifluoromethyl)phenyl]-butylammonium IUPAC Name: (3-amino-3-oxopropanoyl)-bis[3,4-bis(trifluoromethyl)phenyl]-butylazanium Traditional Name: (3-amino-3-keto-propanoyl)-bis[3,4-bis(trifluoromethyl)phenyl]-butyl-ammonium Formula: C23H19F12N2O2+ MolecularWeight: 583.389998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)C(=O)CC(=O)N

Isomeric SMILES

CCCC[N+](C1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)C(=O)CC(=O)N

InChI

InChI=1S/C23H18F12N2O2/c1-2-3-8-37(19(39)11-18(36)38,12-4-6-14(20(24,25)26)16(9-12)22(30,31)32)13-5-7-15(21(27,28)29)17(10-13)23(33,34)35/h4-7,9-10H,2-3,8,11H2,1H3,(H-,36,38)/p+1