N-[2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-1-iumyl]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide Formula: C21H29ClN3O3S+ MolecularWeight: 438.99126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN3O3S/c1-18-2-8-21(9-3-18)29(26,27)23-10-11-24-12-14-25(15-13-24)16-17-28-20-6-4-19(22)5-7-20/h2-9,23H,10-17H2,1H3/p+1