2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-anilino]ethyl-dimethyl-ammonium CAS Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitroanilino]ethyl-dimethylammonium IUPAC Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitroanilino]ethyl-dimethylazanium Traditional Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-anilino]ethyl-dimethyl-ammonium Formula: C17H29N4O4S+ MolecularWeight: 385.50156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC[NH+](C)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC[NH+](C)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H28N4O4S/c1-13-9-14(2)12-20(11-13)26(24,25)15-5-6-16(17(10-15)21(22)23)18-7-8-19(3)4/h5-6,10,13-14,18H,7-9,11-12H2,1-4H3/p+1/t13-,14-/m1/s1