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

Systemtic Name: 3-[(3,4-dimethylphenyl)carbonyl-(3-fluorophenyl)amino]propylazanium Openeye Name: 3-(N-(3,4-dimethylbenzoyl)-3-fluoro-anilino)propylammonium CAS Name: 3-(N-[(3,4-dimethylphenyl)-oxomethyl]-3-fluoroanilino)propylammonium IUPAC Name: 3-(N-(3,4-dimethylbenzoyl)-3-fluoroanilino)propylazanium Traditional Name: 3-(N-(3,4-dimethylbenzoyl)-3-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(=CC=C2)F)C

Isomeric SMILES

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

InChI

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