3-[(2,4-dimethylphenyl)-(3-fluorophenyl)carbonyl-amino]propylazanium

Systemtic Name: 3-[(2,4-dimethylphenyl)-(3-fluorophenyl)carbonyl-amino]propylazanium Openeye Name: 3-(N-(3-fluorobenzoyl)-2,4-dimethyl-anilino)propylammonium CAS Name: 3-(N-[(3-fluorophenyl)-oxomethyl]-2,4-dimethylanilino)propylammonium IUPAC Name: 3-(N-(3-fluorobenzoyl)-2,4-dimethylanilino)propylazanium Traditional Name: 3-(N-(3-fluorobenzoyl)-2,4-dimethyl-anilino)propylammonium Formula: C18H22FN2O+ MolecularWeight: 301.378483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CCC[NH3+])C(=O)C2=CC(=CC=C2)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CCC[NH3+])C(=O)C2=CC(=CC=C2)F)C

InChI

InChI=1S/C18H21FN2O/c1-13-7-8-17(14(2)11-13)21(10-4-9-20)18(22)15-5-3-6-16(19)12-15/h3,5-8,11-12H,4,9-10,20H2,1-2H3/p+1