(4-bromophenyl)methyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-[4-(4-hydroxyphenyl)piperazino]-2-keto-ethyl]-methyl-ammonium Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H24BrN3O2/c1-22(14-16-2-4-17(21)5-3-16)15-20(26)24-12-10-23(11-13-24)18-6-8-19(25)9-7-18/h2-9,25H,10-15H2,1H3/p+1