N-(4-bromophenyl)-4-ethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-bromophenyl)-4-ethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(4-bromophenyl)-4-ethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(4-bromophenyl)-4-ethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-bromophenyl)-4-ethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-bromophenyl)-4-ethyl-piperazin-4-ium-1-carboxamide Formula: C13H19BrN3O+ MolecularWeight: 313.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O/c1-2-16-7-9-17(10-8-16)13(18)15-12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3,(H,15,18)/p+1