N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-ethyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C19H24N4O3S/c1-2-21-27(25,26)18-5-3-17(4-6-18)19(24)23-13-11-22(12-14-23)15-16-7-9-20-10-8-16/h3-10,21H,2,11-15H2,1H3/p+1