4-(3-azanylbutyl)phenol; 4-ethylbenzene-1,2-diol; hydrochloride

Systemtic Name: 4-(3-azanylbutyl)phenol; 4-ethylbenzene-1,2-diol; hydrochloride Openeye Name: 4-(3-aminobutyl)phenol; 4-ethylbenzene-1,2-diol; hydrochloride CAS Name: 4-(3-aminobutyl)phenol; 4-ethylbenzene-1,2-diol; hydrochloride IUPAC Name: 4-(3-aminobutyl)phenol; 4-ethylbenzene-1,2-diol; hydrochloride Traditional Name: 4-(3-aminobutyl)phenol; 4-ethylpyrocatechol; hydrochloride Formula: C18H26ClNO3 MolecularWeight: 339.85694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)O)O.CC(CCC1=CC=C(C=C1)O)N.Cl

Isomeric SMILES

CCC1=CC(=C(C=C1)O)O.CC(CCC1=CC=C(C=C1)O)N.Cl

InChI

InChI=1S/C10H15NO.C8H10O2.ClH/c1-8(11)2-3-9-4-6-10(12)7-5-9;1-2-6-3-4-7(9)8(10)5-6;/h4-8,12H,2-3,11H2,1H3;3-5,9-10H,2H2,1H3;1H