[4-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(5-bromo-2-hydroxy-phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(5-bromo-2-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(5-bromo-2-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(5-bromo-2-hydroxy-benzyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C18H20BrN2O2+ MolecularWeight: 376.2676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19BrN2O2/c19-16-6-7-17(22)15(12-16)13-20-8-10-21(11-9-20)18(23)14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2/p+1