N4,N4-diethyl-N1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[3-(4-methyl-1-piperidin-1-iumyl)propyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]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)NCCC[NH+]2CCC(CC2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCC(CC2)C

InChI

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