1-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C26H31N2O4S+ MolecularWeight: 467.60034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1OC)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H30N2O4S/c1-20-18-24(32-3)25(19-23(20)31-2)33(29,30)28-16-14-27(15-17-28)26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18-19,26H,14-17H2,1-3H3/p+1