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

Systemtic Name: 4-chloranyl-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide CAS Name: 4-chloro-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Formula: C19H24ClN4O3S+ MolecularWeight: 423.93686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O3S/c20-17-1-3-18(4-2-17)28(26,27)22-10-7-19(25)24-13-11-23(12-14-24)15-16-5-8-21-9-6-16/h1-6,8-9,22H,7,10-15H2/p+1