2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4,5-dimethylphenol IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethylphenol Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Formula: C21H29N2O3S+ MolecularWeight: 389.53156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C(C(=C3)C)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C(C(=C3)C)C)O)C

InChI

InChI=1S/C21H28N2O3S/c1-15-5-6-20(12-17(15)3)27(25,26)23-9-7-22(8-10-23)14-19-11-16(2)18(4)13-21(19)24/h5-6,11-13,24H,7-10,14H2,1-4H3/p+1