N-(3-bromanyl-4-methyl-phenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C13H19BrN3O+ MolecularWeight: 313.21346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCNCC2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCNCC2)Br

InChI

InChI=1S/C13H18BrN3O/c1-10-2-3-11(8-12(10)14)16-13(18)9-17-6-4-15-5-7-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18)/p+1