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

Systemtic Name: 1-(4-bromophenyl)-2-[4-(diphenylmethyl)piperazin-1-yl]ethanol; methanesulfonic acid Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol; methanesulfonic acid CAS Name: 1-(4-bromophenyl)-2-[4-(diphenylmethyl)-1-piperazinyl]ethanol; methanesulfonic acid IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol; methanesulfonic acid Traditional Name: 2-(4-benzhydrylpiperazino)-1-(4-bromophenyl)ethanol; mesylic acid Formula: C27H35BrN2O7S2 MolecularWeight: 643.61

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CC(C2=CC=C(C=C2)Br)O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CC(C2=CC=C(C=C2)Br)O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27BrN2O.2CH4O3S/c26-23-13-11-20(12-14-23)24(29)19-27-15-17-28(18-16-27)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22;2*1-5(2,3)4/h1-14,24-25,29H,15-19H2;2*1H3,(H,2,3,4)