1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C26H28BrN2O2+ MolecularWeight: 480.41672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27BrN2O2/c1-31-24-13-12-23(27)18-22(24)19-28-14-16-29(17-15-28)26(30)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,25H,14-17,19H2,1H3/p+1