(3-bromanyl-4-methyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-bromanyl-4-methyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-bromo-4-methyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (3-bromo-4-methylphenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-bromo-4-methylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-bromo-4-methyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)Br

InChI

InChI=1S/C13H17BrN2O/c1-10-3-4-11(9-12(10)14)13(17)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3/p+1