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

Systemtic Name: 1-methylsulfonyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-methylsulfonyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-methylsulfonyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-methylsulfonyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-mesyl-4-(3-nitrobenzyl)piperazin-4-ium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

Click to see the large picture

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)14-7-5-13(6-8-14)10-11-3-2-4-12(9-11)15(16)17/h2-4,9H,5-8,10H2,1H3/p+1