[3-(aminomethyl)-5-tert-butyl-2-oxidanyl-phenyl]-(4-bromophenyl)methanone hydrochloride

Systemtic Name: [3-(aminomethyl)-5-tert-butyl-2-oxidanyl-phenyl]-(4-bromophenyl)methanone hydrochloride Openeye Name: [3-(aminomethyl)-5-tert-butyl-2-hydroxy-phenyl]-(4-bromophenyl)methanone hydrochloride CAS Name: [3-(aminomethyl)-5-tert-butyl-2-hydroxyphenyl]-(4-bromophenyl)methanone hydrochloride IUPAC Name: [3-(aminomethyl)-5-tert-butyl-2-hydroxyphenyl]-(4-bromophenyl)methanone hydrochloride Traditional Name: [3-(aminomethyl)-5-tert-butyl-2-hydroxy-phenyl]-(4-bromophenyl)methanone hydrochloride Formula: C18H21BrClNO2 MolecularWeight: 398.72184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)O)CN.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)O)CN.Cl

InChI

InChI=1S/C18H20BrNO2.ClH/c1-18(2,3)13-8-12(10-20)17(22)15(9-13)16(21)11-4-6-14(19)7-5-11;/h4-9,22H,10,20H2,1-3H3;1H