(6E)-2-(aminomethyl)-4-tert-butyl-6-(1-sulfanylbutylidene)cyclohexa-2,4-dien-1-one hydrochloride

Systemtic Name: (6E)-2-(aminomethyl)-4-tert-butyl-6-(1-sulfanylbutylidene)cyclohexa-2,4-dien-1-one hydrochloride Openeye Name: (6E)-2-(aminomethyl)-4-tert-butyl-6-(1-sulfanylbutylidene)cyclohexa-2,4-dien-1-one hydrochloride CAS Name: (6E)-2-(aminomethyl)-4-tert-butyl-6-(1-mercaptobutylidene)-1-cyclohexa-2,4-dienone hydrochloride IUPAC Name: (6E)-2-(aminomethyl)-4-tert-butyl-6-(1-sulfanylbutylidene)cyclohexa-2,4-dien-1-one hydrochloride Traditional Name: (6E)-2-(aminomethyl)-4-tert-butyl-6-(1-mercaptobutylidene)cyclohexa-2,4-dien-1-one hydrochloride Formula: C15H24ClNOS MolecularWeight: 301.87516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C=C(C=C(C1=O)CN)C(C)(C)C)S.Cl

Isomeric SMILES

CCC/C(=C\1/C=C(C=C(C1=O)CN)C(C)(C)C)/S.Cl

InChI

InChI=1S/C15H23NOS.ClH/c1-5-6-13(18)12-8-11(15(2,3)4)7-10(9-16)14(12)17;/h7-8,18H,5-6,9,16H2,1-4H3;1H/b13-12+;