4-(2-azanylethyl)-2-tert-butyl-3-chloranyl-benzoate hydrochloride

Systemtic Name: 4-(2-azanylethyl)-2-tert-butyl-3-chloranyl-benzoate hydrochloride Openeye Name: 4-(2-aminoethyl)-2-tert-butyl-3-chloro-benzoate hydrochloride CAS Name: 4-(2-aminoethyl)-2-tert-butyl-3-chlorobenzoate hydrochloride IUPAC Name: 4-(2-aminoethyl)-2-tert-butyl-3-chlorobenzoate hydrochloride Traditional Name: 4-(2-aminoethyl)-2-tert-butyl-3-chloro-benzoate hydrochloride Formula: C13H18Cl2NO2- MolecularWeight: 291.19352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1Cl)CCN)C(=O)[O-].Cl

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1Cl)CCN)C(=O)[O-].Cl

InChI

InChI=1S/C13H18ClNO2.ClH/c1-13(2,3)10-9(12(16)17)5-4-8(6-7-15)11(10)14;/h4-5H,6-7,15H2,1-3H3,(H,16,17);1H/p-1