[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone

Systemtic Name: [(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: [(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: (4-mesylphenyl)-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-20-12-13-21(18(14-20)15-6-4-3-5-7-15)19(22)16-8-10-17(11-9-16)25(2,23)24/h3-11,18H,12-14H2,1-2H3/p+1/t18-/m1/s1