(5-bromanyl-2-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-bromo-2-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (5-bromo-2-methoxyphenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-bromo-2-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-bromo-2-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C13H18BrN2O2+ MolecularWeight: 314.19822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O2/c1-15-5-7-16(8-6-15)13(17)11-9-10(14)3-4-12(11)18-2/h3-4,9H,5-8H2,1-2H3/p+1