3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 3-[[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 3-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H19N3O2S/c1-20-10-11-21(18(14-20)16-7-3-2-4-8-16)24(22,23)17-9-5-6-15(12-17)13-19/h2-9,12,18H,10-11,14H2,1H3/p+1/t18-/m1/s1