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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O/c1-13-4-9-17(14(2)12-13)21(11-3-10-20)18(22)15-5-7-16(19)8-6-15/h4-9,12H,3,10-11,20H2,1-2H3/p+1