1-(4-chlorophenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(4-nitrobenzyl)piperazin-4-ium Formula: C17H19ClN3O4S+ MolecularWeight: 396.86846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O4S/c18-15-3-7-17(8-4-15)26(24,25)20-11-9-19(10-12-20)13-14-1-5-16(6-2-14)21(22)23/h1-8H,9-13H2/p+1