1-[(3-chlorophenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-chlorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-chlorobenzyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C17H19ClN3O4S+ MolecularWeight: 396.86846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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