1-[(2,4-dichlorophenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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