1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3CCCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C[C@H]3CCCCO3

InChI

InChI=1S/C17H25N3O5S/c1-14-5-6-15(20(21)22)12-17(14)26(23,24)19-9-7-18(8-10-19)13-16-4-2-3-11-25-16/h5-6,12,16H,2-4,7-11,13H2,1H3/p+1/t16-/m1/s1