(3-tert-butyl-4-oxidanyl-thiophen-2-yl)-(3-methylphenyl)methanone; N-ethylbutan-1-amine; hydrochloride

Systemtic Name: (3-tert-butyl-4-oxidanyl-thiophen-2-yl)-(3-methylphenyl)methanone; N-ethylbutan-1-amine; hydrochloride Openeye Name: (3-tert-butyl-4-hydroxy-2-thienyl)-(m-tolyl)methanone; N-ethylbutan-1-amine; hydrochloride CAS Name: (3-tert-butyl-4-hydroxy-2-thiophenyl)-(3-methylphenyl)methanone; N-ethyl-1-butanamine; hydrochloride IUPAC Name: (3-tert-butyl-4-hydroxythiophen-2-yl)-(3-methylphenyl)methanone; N-ethylbutan-1-amine; hydrochloride Traditional Name: butyl(ethyl)amine; (3-tert-butyl-4-hydroxy-2-thienyl)-(m-tolyl)methanone; hydrochloride Formula: C22H34ClNO2S MolecularWeight: 412.02886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O2S.C6H15N.ClH/c1-10-6-5-7-11(8-10)14(18)15-13(16(2,3)4)12(17)9-19-15;1-3-5-6-7-4-2;/h5-9,17H,1-4H3;7H,3-6H2,1-2H3;1H