N-(4-bromanyl-2-chloranyl-phenyl)-4-methyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-methyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-methyl-piperazin-4-ium-1-carboxamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-methyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-methylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-methyl-piperazin-4-ium-1-carboxamide Formula: C12H16BrClN3O+ MolecularWeight: 333.63194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C12H15BrClN3O/c1-16-4-6-17(7-5-16)12(18)15-11-3-2-9(13)8-10(11)14/h2-3,8H,4-7H2,1H3,(H,15,18)/p+1