1-(3-chlorophenyl)sulfonyl-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)sulfonyl-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)sulfonyl-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)sulfonyl-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)sulfonyl-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)sulfonyl-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium Formula: C20H26ClN2O4S+ MolecularWeight: 425.94944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H25ClN2O4S/c1-26-18-6-8-19(9-7-18)27-15-3-10-22-11-13-23(14-12-22)28(24,25)20-5-2-4-17(21)16-20/h2,4-9,16H,3,10-15H2,1H3/p+1