(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-cyclopropyl-[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]ammonium Formula: C21H26ClFN3O+ MolecularWeight: 390.902043

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C[NH+](CC2=C(C=CC=C2Cl)F)C3CC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C[NH+](CC2=C(C=CC=C2Cl)F)C3CC3

InChI

InChI=1S/C21H25ClFN3O/c1-25(2)16-8-6-15(7-9-16)12-24-21(27)14-26(17-10-11-17)13-18-19(22)4-3-5-20(18)23/h3-9,17H,10-14H2,1-2H3,(H,24,27)/p+1