1-[[2,6-bis(chloranyl)phenyl]methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,6-dichlorophenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,6-dichlorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2,6-dichlorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,6-dichlorobenzyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C17H18Cl2N3O4S+ MolecularWeight: 431.31352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17Cl2N3O4S/c18-16-5-2-6-17(19)15(16)12-20-7-9-21(10-8-20)27(25,26)14-4-1-3-13(11-14)22(23)24/h1-6,11H,7-10,12H2/p+1