4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(3-chloranyl-2-methyl-phenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(3-chloranyl-2-methyl-phenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]-N-(3-chloro-2-methyl-phenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-2-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-2-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(2-chloro-6-fluoro-benzyl)-N-(3-chloro-2-methyl-phenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C20H23Cl2FN3O+ MolecularWeight: 411.320523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)N2CCC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)N2CCC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22Cl2FN3O/c1-14-16(21)5-3-8-19(14)24-20(27)26-10-4-9-25(11-12-26)13-15-17(22)6-2-7-18(15)23/h2-3,5-8H,4,9-13H2,1H3,(H,24,27)/p+1