(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-phenylsulfanyl-propan-2-ol

Systemtic Name: (2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-phenylsulfanyl-propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-phenylsulfanyl-propan-2-ol CAS Name: (2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(phenylthio)-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-phenylsulfanylpropan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(phenylthio)propan-2-ol Formula: C26H31N2OS+ MolecularWeight: 419.60214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)CC(CSC4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C[C@@H](CSC4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2OS/c29-24(21-30-25-14-8-3-9-15-25)20-27-16-18-28(19-17-27)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,24,26,29H,16-21H2/p+1/t24-/m0/s1