N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide CAS Name: N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S/c24-19(8-11-21-27(25,26)18-4-2-1-3-5-18)23-14-12-22(13-15-23)16-17-6-9-20-10-7-17/h1-7,9-10,21H,8,11-16H2/p+1