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

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-17-3-9-20(10-4-17)27(24,25)21-11-12-22-13-15-23(16-14-22)18-5-7-19(26-2)8-6-18/h3-10,21H,11-16H2,1-2H3/p+1