1-naphthalen-2-ylsulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride Openeye Name: 1-(2-naphthylsulfonyl)-4-(4-nitrophenyl)piperazin-4-ium chloride CAS Name: 1-(2-naphthalenylsulfonyl)-4-(4-nitrophenyl)piperazin-4-ium chloride IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-(4-nitrophenyl)piperazin-4-ium chloride Traditional Name: 1-(2-naphthylsulfonyl)-4-(4-nitrophenyl)piperazin-4-ium chloride Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

InChI

InChI=1S/C20H19N3O4S.ClH/c24-23(25)19-8-6-18(7-9-19)21-11-13-22(14-12-21)28(26,27)20-10-5-16-3-1-2-4-17(16)15-20;/h1-10,15H,11-14H2;1H