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

Systemtic Name: [3-tert-butyl-5-[(dibutylamino)methyl]-4-oxidanyl-phenyl]-thiophen-2-yl-methanone hydrochloride Openeye Name: [3-tert-butyl-5-[(dibutylamino)methyl]-4-hydroxy-phenyl]-(2-thienyl)methanone hydrochloride CAS Name: [3-tert-butyl-5-[(dibutylamino)methyl]-4-hydroxyphenyl]-thiophen-2-ylmethanone hydrochloride IUPAC Name: [3-tert-butyl-5-[(dibutylamino)methyl]-4-hydroxyphenyl]-thiophen-2-ylmethanone hydrochloride Traditional Name: [3-tert-butyl-5-[(dibutylamino)methyl]-4-hydroxy-phenyl]-(2-thienyl)methanone hydrochloride Formula: C24H36ClNO2S MolecularWeight: 438.06614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1=C(C(=CC(=C1)C(=O)C2=CC=CS2)C(C)(C)C)O.Cl

Isomeric SMILES

CCCCN(CCCC)CC1=C(C(=CC(=C1)C(=O)C2=CC=CS2)C(C)(C)C)O.Cl

InChI

InChI=1S/C24H35NO2S.ClH/c1-6-8-12-25(13-9-7-2)17-19-15-18(23(27)21-11-10-14-28-21)16-20(22(19)26)24(3,4)5;/h10-11,14-16,26H,6-9,12-13,17H2,1-5H3;1H