1-[(2-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-bromobenzyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C17H19BrN3O4S+ MolecularWeight: 441.31946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H18BrN3O4S/c18-15-6-2-1-5-14(15)13-19-9-11-20(12-10-19)26(24,25)17-8-4-3-7-16(17)21(22)23/h1-8H,9-13H2/p+1