3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N,N-dimethylbenzenesulfonamide Traditional Name: N,N-dimethyl-3-(4-p-anisylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-22(2)29(26,27)20-6-4-5-18(15-20)21(25)24-13-11-23(12-14-24)16-17-7-9-19(28-3)10-8-17/h4-10,15H,11-14,16H2,1-3H3/p+1