N,N-diethyl-4-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-[(2R)-2-methyl-1-piperidin-1-iumyl]ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethylamino]-3-nitro-benzenesulfonamide Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC[NH+]2CCCCC2C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC[NH+]2CCCC[C@H]2C)[N+](=O)[O-]

InChI

InChI=1S/C18H30N4O4S/c1-4-21(5-2)27(25,26)16-9-10-17(18(14-16)22(23)24)19-11-13-20-12-7-6-8-15(20)3/h9-10,14-15,19H,4-8,11-13H2,1-3H3/p+1/t15-/m1/s1