N1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-N4,N4-diethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-N4,N4-diethyl-benzene-1,4-disulfonamide Openeye Name: N1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-N4,N4-diethyl-benzene-1,4-disulfonamide CAS Name: N1-[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]ethyl]-N4,N4-diethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide Traditional Name: N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-N',N'-diethyl-benzene-1,4-disulfonamide Formula: C19H34N3O4S2+ MolecularWeight: 432.62096

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CC(CC(C2)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2C[C@H](C[C@@H](C2)C)C

InChI

InChI=1S/C19H33N3O4S2/c1-5-22(6-2)28(25,26)19-9-7-18(8-10-19)27(23,24)20-11-12-21-14-16(3)13-17(4)15-21/h7-10,16-17,20H,5-6,11-15H2,1-4H3/p+1/t16-,17-/m0/s1