(3S)-3-methyl-1-(2-methylsulfonyl-4-nitro-phenyl)piperazin-4-ium

Systemtic Name: (3S)-3-methyl-1-(2-methylsulfonyl-4-nitro-phenyl)piperazin-4-ium Openeye Name: (3S)-3-methyl-1-(2-methylsulfonyl-4-nitro-phenyl)piperazin-4-ium CAS Name: (3S)-3-methyl-1-(2-methylsulfonyl-4-nitrophenyl)piperazin-4-ium IUPAC Name: (3S)-3-methyl-1-(2-methylsulfonyl-4-nitrophenyl)piperazin-4-ium Traditional Name: (3S)-1-(2-mesyl-4-nitro-phenyl)-3-methyl-piperazin-4-ium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C12H17N3O4S/c1-9-8-14(6-5-13-9)11-4-3-10(15(16)17)7-12(11)20(2,18)19/h3-4,7,9,13H,5-6,8H2,1-2H3/p+1/t9-/m0/s1