(2S)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol Openeye Name: (2S)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(2-thienylmethoxy)propan-2-ol CAS Name: (2S)-1-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-3-(thiophen-2-ylmethoxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol Traditional Name: (2S)-1-(4-brosylpiperazin-1-ium-1-yl)-3-(2-thenyloxy)propan-2-ol Formula: C18H24BrN2O4S2+ MolecularWeight: 476.42816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CS2)O)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COCC2=CC=CS2)O)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H23BrN2O4S2/c19-15-3-5-18(6-4-15)27(23,24)21-9-7-20(8-10-21)12-16(22)13-25-14-17-2-1-11-26-17/h1-6,11,16,22H,7-10,12-14H2/p+1/t16-/m0/s1