1-(phenylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-16-14-17(2)19(4)21(18(16)3)26(24,25)23-12-10-22(11-13-23)15-20-8-6-5-7-9-20/h5-9,14H,10-13,15H2,1-4H3/p+1