4-chloranyl-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-chloro-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-chloro-3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-chloro-3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-chloro-3-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C23H31ClN3O5S+ MolecularWeight: 497.02734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl)OC)OC

InChI

InChI=1S/C23H30ClN3O5S/c1-16-12-21(31-4)22(32-5)13-17(16)15-26-8-10-27(11-9-26)23(28)19-14-18(6-7-20(19)24)33(29,30)25(2)3/h6-7,12-14H,8-11,15H2,1-5H3/p+1