N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C17H28N3O5S+ MolecularWeight: 386.48632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCNS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCCNS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H27N3O5S/c1-13-9-14(2)12-19(11-13)8-4-7-18-26(23,24)15-5-6-17(25-3)16(10-15)20(21)22/h5-6,10,13-14,18H,4,7-9,11-12H2,1-3H3/p+1/t13-,14-/m0/s1