2-[4-[(2R)-2-oxidanyl-2-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2R)-2-oxidanyl-2-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2R)-2-hydroxy-2-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2R)-2-hydroxy-2-phenylethyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2R)-2-hydroxy-2-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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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=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](C2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H21N3O3S/c20-14-17-8-4-5-9-19(17)26(24,25)22-12-10-21(11-13-22)15-18(23)16-6-2-1-3-7-16/h1-9,18,23H,10-13,15H2/p+1/t18-/m0/s1