1-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O)C)C

InChI

InChI=1S/C25H30N2O3S/c1-17-15-18(2)20(4)25(19(17)3)31(29,30)27-13-11-26(12-14-27)16-23-22-8-6-5-7-21(22)9-10-24(23)28/h5-10,15,28H,11-14,16H2,1-4H3/p+1