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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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