3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-methyl-piperazin-1-yl]-3-oxidanylidene-propanethial hydrochloride

Systemtic Name: 3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-methyl-piperazin-1-yl]-3-oxidanylidene-propanethial hydrochloride Openeye Name: 3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-methyl-piperazin-1-yl]-3-oxo-propanethial hydrochloride CAS Name: 3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methyl-1-piperazinyl]-3-oxopropanethial hydrochloride IUPAC Name: 3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methylpiperazin-1-yl]-3-oxopropanethial hydrochloride Traditional Name: 3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-methyl-piperazino]-3-keto-thiopropionaldehyde hydrochloride Formula: C22H35ClN2O2S MolecularWeight: 427.0435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CN(CCN2C(=O)CC=S)C.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CN(CCN2C(=O)CC=S)C.Cl

InChI

InChI=1S/C22H34N2O2S.ClH/c1-21(2,3)16-12-15(13-17(20(16)26)22(4,5)6)18-14-23(7)9-10-24(18)19(25)8-11-27;/h11-13,18,26H,8-10,14H2,1-7H3;1H