[3-tert-butyl-5-[(dioctylamino)methyl]-4-oxidanyl-phenyl]-thiophen-2-yl-methanone hydrochloride

Systemtic Name: [3-tert-butyl-5-[(dioctylamino)methyl]-4-oxidanyl-phenyl]-thiophen-2-yl-methanone hydrochloride Openeye Name: [3-tert-butyl-5-[(dioctylamino)methyl]-4-hydroxy-phenyl]-(2-thienyl)methanone hydrochloride CAS Name: [3-tert-butyl-5-[(dioctylamino)methyl]-4-hydroxyphenyl]-thiophen-2-ylmethanone hydrochloride IUPAC Name: [3-tert-butyl-5-[(dioctylamino)methyl]-4-hydroxyphenyl]-thiophen-2-ylmethanone hydrochloride Traditional Name: [3-tert-butyl-5-[(dioctylamino)methyl]-4-hydroxy-phenyl]-(2-thienyl)methanone hydrochloride Formula: C32H52ClNO2S MolecularWeight: 550.27878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)CC1=C(C(=CC(=C1)C(=O)C2=CC=CS2)C(C)(C)C)O.Cl

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)CC1=C(C(=CC(=C1)C(=O)C2=CC=CS2)C(C)(C)C)O.Cl

InChI

InChI=1S/C32H51NO2S.ClH/c1-6-8-10-12-14-16-20-33(21-17-15-13-11-9-7-2)25-27-23-26(31(35)29-19-18-22-36-29)24-28(30(27)34)32(3,4)5;/h18-19,22-24,34H,6-17,20-21,25H2,1-5H3;1H