(1S)-1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: (1S)-1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: (1S)-1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanol CAS Name: (1S)-1-(4-bromophenyl)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: (1S)-1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: (1S)-1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanol Formula: C18H21BrClN2O+ MolecularWeight: 396.72914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](C2=CC=C(C=C2)Br)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20BrClN2O/c19-15-6-4-14(5-7-15)18(23)13-21-8-10-22(11-9-21)17-3-1-2-16(20)12-17/h1-7,12,18,23H,8-11,13H2/p+1/t18-/m1/s1