N-[(2-bromophenyl)methyl]-N-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-bromobenzyl)-2-(3-ketopiperazin-1-ium-1-yl)-N-methyl-acetamide Formula: C14H19BrN3O2+ MolecularWeight: 341.22356

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H18BrN3O2/c1-17(8-11-4-2-3-5-12(11)15)14(20)10-18-7-6-16-13(19)9-18/h2-5H,6-10H2,1H3,(H,16,19)/p+1