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

Systemtic Name: (2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-thiophen-2-ylsulfanyl-propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2-thienylsulfanyl)propan-2-ol CAS Name: (2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(thiophen-2-ylthio)-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2-thienylthio)propan-2-ol Formula: C24H29N2OS2+ MolecularWeight: 425.62986

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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=CS4)O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C[C@@H](CSC4=CC=CS4)O

InChI

InChI=1S/C24H28N2OS2/c27-22(19-29-23-12-7-17-28-23)18-25-13-15-26(16-14-25)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,22,24,27H,13-16,18-19H2/p+1/t22-/m0/s1