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

Systemtic Name: (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[(3,4-dichlorophenyl)thio]-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[(3,4-dichlorophenyl)thio]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C19H23Cl2N2OS+ MolecularWeight: 398.36972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22Cl2N2OS/c20-18-7-6-17(12-19(18)21)25-14-16(24)13-22-8-10-23(11-9-22)15-4-2-1-3-5-15/h1-7,12,16,24H,8-11,13-14H2/p+1/t16-/m1/s1