4-(butylamino)benzoic acid; 2-(dimethylamino)ethanol; hydrochloride

Systemtic Name: 4-(butylamino)benzoic acid; 2-(dimethylamino)ethanol; hydrochloride Openeye Name: 4-(butylamino)benzoic acid; 2-(dimethylamino)ethanol; hydrochloride CAS Name: 4-(butylamino)benzoic acid; 2-(dimethylamino)ethanol; hydrochloride IUPAC Name: 4-(butylamino)benzoic acid; 2-(dimethylamino)ethanol; hydrochloride Traditional Name: 4-(butylamino)benzoic acid; 2-(dimethylamino)ethanol; hydrochloride Formula: C15H27ClN2O3 MolecularWeight: 318.83948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)O.CN(C)CCO.Cl

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)O.CN(C)CCO.Cl

InChI

InChI=1S/C11H15NO2.C4H11NO.ClH/c1-2-3-8-12-10-6-4-9(5-7-10)11(13)14;1-5(2)3-4-6;/h4-7,12H,2-3,8H2,1H3,(H,13,14);6H,3-4H2,1-2H3;1H