2-[[2-(dimethylamino)-5-[(3-fluorophenyl)carbonylamino]phenyl]methyl-ethanoyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-5-[(3-fluorophenyl)carbonylamino]phenyl]methyl-ethanoyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[acetyl-[[2-(dimethylamino)-5-[(3-fluorobenzoyl)amino]phenyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[acetyl-[[2-(dimethylamino)-5-[[(3-fluorophenyl)-oxomethyl]amino]phenyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[acetyl-[[2-(dimethylamino)-5-[(3-fluorobenzoyl)amino]phenyl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[acetyl-[2-(dimethylamino)-5-[(3-fluorobenzoyl)amino]benzyl]amino]ethyl-dimethyl-ammonium Formula: C22H30FN4O2+ MolecularWeight: 401.497603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN4O2/c1-16(28)27(12-11-25(2)3)15-18-14-20(9-10-21(18)26(4)5)24-22(29)17-7-6-8-19(23)13-17/h6-10,13-14H,11-12,15H2,1-5H3,(H,24,29)/p+1