2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol

Systemtic Name: 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol Openeye Name: 2-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-isopropyl-5-methyl-phenol CAS Name: 2-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-5-methyl-4-propan-2-ylphenol IUPAC Name: 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-ylphenol Traditional Name: 2-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-isopropyl-5-methyl-phenol Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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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=C(ON=C3C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C)O

InChI

InChI=1S/C20H29N3O4S/c1-13(2)18-11-17(19(24)10-14(18)3)12-22-6-8-23(9-7-22)28(25,26)20-15(4)21-27-16(20)5/h10-11,13,24H,6-9,12H2,1-5H3/p+1