N,N-diethyl-2-methyl-5-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-2-methyl-5-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-diethyl-2-methyl-5-[4-(8-quinolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-2-methyl-5-[oxo-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-diethyl-2-methyl-5-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-2-methyl-5-[4-(8-quinolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C26H33N4O3S+ MolecularWeight: 481.63022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C26H32N4O3S/c1-4-30(5-2)34(32,33)24-18-22(12-11-20(24)3)26(31)29-16-14-28(15-17-29)19-23-9-6-8-21-10-7-13-27-25(21)23/h6-13,18H,4-5,14-17,19H2,1-3H3/p+1