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

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]butyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]-4-methyl-benzenesulfonamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3/p+1