(2R)-1-(4-bromophenyl)sulfanyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-(4-bromophenyl)sulfanyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-(4-bromophenyl)sulfanyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[(4-bromophenyl)thio]-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-(4-bromophenyl)sulfanyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[(4-bromophenyl)thio]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C19H24BrN2OS+ MolecularWeight: 408.37566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CSC2=CC=C(C=C2)Br)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CSC2=CC=C(C=C2)Br)O)C3=CC=CC=C3

InChI

InChI=1S/C19H23BrN2OS/c20-16-6-8-19(9-7-16)24-15-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9,18,23H,10-15H2/p+1/t18-/m1/s1