1-(diphenylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-(diphenylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium chloride Openeye Name: 1-benzhydryl-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium chloride CAS Name: 1-(diphenylmethyl)-4-(3-nitrophenyl)sulfonylpiperazin-1-ium chloride IUPAC Name: 1-benzhydryl-4-(3-nitrophenyl)sulfonylpiperazin-1-ium chloride Traditional Name: 1-benzhydryl-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium chloride Formula: C23H24ClN3O4S MolecularWeight: 473.97236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C23H23N3O4S.ClH/c27-26(28)21-12-7-13-22(18-21)31(29,30)25-16-14-24(15-17-25)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20;/h1-13,18,23H,14-17H2;1H