(2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-methylphenyl)sulfanyl-propan-2-ol

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-methylphenyl)sulfanyl-propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(p-tolylsulfanyl)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-[(4-methylphenyl)thio]-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-methylphenyl)sulfanylpropan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(p-tolylthio)propan-2-ol Formula: C20H26ClN2OS+ MolecularWeight: 377.95124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C20H25ClN2OS/c1-16-5-7-20(8-6-16)25-15-19(24)14-22-9-11-23(12-10-22)18-4-2-3-17(21)13-18/h2-8,13,19,24H,9-12,14-15H2,1H3/p+1/t19-/m0/s1