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

Systemtic Name: 4-methoxy-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide CAS Name: 4-methoxy-N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzenesulfonamide Formula: C21H31N3O3S+2 MolecularWeight: 405.55414

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-23-15-16-24(21(17-23)18-7-4-3-5-8-18)14-6-13-22-28(25,26)20-11-9-19(27-2)10-12-20/h3-5,7-12,21-22H,6,13-17H2,1-2H3/p+2/t21-/m1/s1