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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-bromobenzyl)-4-nosyl-piperazin-1-ium Formula: C17H19BrN3O4S+ MolecularWeight: 441.31946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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