1-methyl-4-(5-nitro-2-propan-2-yl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(5-nitro-2-propan-2-yl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(2-isopropyl-5-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-isopropyl-5-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C14H22N3O4S+ MolecularWeight: 328.40718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H21N3O4S/c1-11(2)13-5-4-12(17(18)19)10-14(13)22(20,21)16-8-6-15(3)7-9-16/h4-5,10-11H,6-9H2,1-3H3/p+1