benzoic acid; 7-[2-(ethylamino)ethyl]-1-methyl-naphthalene-2,3-diol; hydrochloride

Systemtic Name: benzoic acid; 7-[2-(ethylamino)ethyl]-1-methyl-naphthalene-2,3-diol; hydrochloride Openeye Name: benzoic acid; 7-[2-(ethylamino)ethyl]-1-methyl-naphthalene-2,3-diol; hydrochloride CAS Name: benzoic acid; 7-[2-(ethylamino)ethyl]-1-methylnaphthalene-2,3-diol; hydrochloride IUPAC Name: benzoic acid; 7-[2-(ethylamino)ethyl]-1-methylnaphthalene-2,3-diol; hydrochloride Traditional Name: benzoic acid; 7-[2-(ethylamino)ethyl]-1-methyl-naphthalene-2,3-diol; hydrochloride Formula: C29H32ClNO6 MolecularWeight: 526.02048

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCC1=CC2=C(C(=C(C=C2C=C1)O)O)C.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

CCNCCC1=CC2=C(C(=C(C=C2C=C1)O)O)C.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C15H19NO2.2C7H6O2.ClH/c1-3-16-7-6-11-4-5-12-9-14(17)15(18)10(2)13(12)8-11;2*8-7(9)6-4-2-1-3-5-6;/h4-5,8-9,16-18H,3,6-7H2,1-2H3;2*1-5H,(H,8,9);1H