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

Systemtic Name: 1-methylsulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-methylsulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-methylsulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-methylsulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-mesyl-4-(4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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