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

Systemtic Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol Openeye Name: 4-isopropyl-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-phenol CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-4-propan-2-ylphenol IUPAC Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-ylphenol Traditional Name: 4-isopropyl-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-phenol Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-16(2)21-14-18(22(25)13-17(21)3)15-23-9-11-24(12-10-23)29(26,27)20-7-5-19(28-4)6-8-20/h5-8,13-14,16,25H,9-12,15H2,1-4H3/p+1