4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(3-bromo-4-methoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-2-one Formula: C12H16BrN2O2+ MolecularWeight: 300.17164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCNC(=O)C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCNC(=O)C2)Br

InChI

InChI=1S/C12H15BrN2O2/c1-17-11-3-2-9(6-10(11)13)7-15-5-4-14-12(16)8-15/h2-3,6H,4-5,7-8H2,1H3,(H,14,16)/p+1