(1S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol Formula: C18H22BrN2O3S+ MolecularWeight: 426.34788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=CC=C2)O)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3S/c19-16-7-4-8-17(13-16)25(23,24)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,22H,9-12,14H2/p+1/t18-/m1/s1