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

Systemtic Name: 1-methylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-methylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-methylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-methylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-mesyl-4-(2-nitrobenzyl)piperazin-4-ium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-20(18,19)14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15(16)17/h2-5H,6-10H2,1H3/p+1