1-[(3-methoxyphenyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-m-anisyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C)C

InChI

InChI=1S/C22H30N2O3S/c1-16-13-17(2)19(4)22(18(16)3)28(25,26)24-11-9-23(10-12-24)15-20-7-6-8-21(14-20)27-5/h6-8,13-14H,9-12,15H2,1-5H3/p+1