3-bromanyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate

Systemtic Name: 3-bromanyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate Openeye Name: 3-bromo-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate CAS Name: 3-bromo-4-[(4-methyl-1-piperazin-4-iumyl)methyl]benzoate IUPAC Name: 3-bromo-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate Traditional Name: 3-bromo-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C(=O)[O-])Br

InChI

InChI=1S/C13H17BrN2O2/c1-15-4-6-16(7-5-15)9-11-3-2-10(13(17)18)8-12(11)14/h2-3,8H,4-7,9H2,1H3,(H,17,18)