4-tert-butyl-2-methyl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 4-tert-butyl-2-methyl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-tert-butyl-2-methyl-6-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-tert-butyl-2-methyl-6-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 4-tert-butyl-2-methyl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-tert-butyl-2-methyl-6-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C20H29N2O3S2+ MolecularWeight: 409.58586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C20H28N2O3S2/c1-15-12-17(20(2,3)4)13-16(19(15)23)14-21-7-9-22(10-8-21)27(24,25)18-6-5-11-26-18/h5-6,11-13,23H,7-10,14H2,1-4H3/p+1