1-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,5-dimethoxy-3,4,6-trimethylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)sulfonyl-piperazin-1-ium Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC)C

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC)C

InChI

InChI=1S/C22H30N2O4S/c1-16-17(2)21(28-5)22(18(3)20(16)27-4)29(25,26)24-13-11-23(12-14-24)15-19-9-7-6-8-10-19/h6-10H,11-15H2,1-5H3/p+1