N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide

Systemtic Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide CAS Name: N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]benzenesulfonamide IUPAC Name: N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Traditional Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Formula: C20H29N3O2S+2 MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-22-15-16-23(20(17-22)18-9-4-2-5-10-18)14-8-13-21-26(24,25)19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-17H2,1H3/p+2/t20-/m1/s1