2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol Openeye Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-isopropyl-5-methyl-phenol CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-4-propan-2-ylphenol IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-ylphenol Traditional Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-isopropyl-5-methyl-phenol Formula: C21H28FN2O3S+ MolecularWeight: 407.522023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H27FN2O3S/c1-15(2)20-13-17(21(25)12-16(20)3)14-23-8-10-24(11-9-23)28(26,27)19-6-4-18(22)5-7-19/h4-7,12-13,15,25H,8-11,14H2,1-3H3/p+1