N-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide Formula: C21H29FN3O3S+ MolecularWeight: 422.536663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H28FN3O3S/c1-17-3-6-19(7-4-17)29(26,27)23-9-10-24-11-13-25(14-12-24)16-18-5-8-21(28-2)20(22)15-18/h3-8,15,23H,9-14,16H2,1-2H3/p+1