1-(4-bromophenyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanol; methanesulfonic acid

Systemtic Name: 1-(4-bromophenyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanol; methanesulfonic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol; methanesulfonic acid CAS Name: 1-(4-bromophenyl)-2-[4-(phenylmethyl)-1-piperazinyl]ethanol; methanesulfonic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol; methanesulfonic acid Traditional Name: 2-(4-benzylpiperazino)-1-(4-bromophenyl)ethanol; mesylic acid Formula: C21H31BrN2O7S2 MolecularWeight: 567.51404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CC2=CC=CC=C2)CC(C3=CC=C(C=C3)Br)O

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CC2=CC=CC=C2)CC(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C19H23BrN2O.2CH4O3S/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16;2*1-5(2,3)4/h1-9,19,23H,10-15H2;2*1H3,(H,2,3,4)