1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-isopropyl-piperazin-4-ium CAS Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-isopropyl-piperazin-4-ium Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CC[NH+](CC2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CC[NH+](CC2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O4S/c1-11(2)16-5-7-17(8-6-16)23(21,22)15-10-14(18(19)20)9-12(3)13(15)4/h9-11H,5-8H2,1-4H3/p+1