2-[(3-fluoranyl-4-methyl-phenyl)methylcarbamoyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)methylcarbamoyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(3-fluoro-4-methyl-phenyl)methylcarbamoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(3-fluoro-4-methylphenyl)methylamino]-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(3-fluoro-4-methylphenyl)methylcarbamoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(3-fluoro-4-methyl-benzyl)carbamoyl]amino]ethyl-dimethyl-ammonium Formula: C20H27FN3O+ MolecularWeight: 344.446283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N(CC[NH+](C)C)CC2=CC=CC=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N(CC[NH+](C)C)CC2=CC=CC=C2)F

InChI

InChI=1S/C20H26FN3O/c1-16-9-10-18(13-19(16)21)14-22-20(25)24(12-11-23(2)3)15-17-7-5-4-6-8-17/h4-10,13H,11-12,14-15H2,1-3H3,(H,22,25)/p+1