ethanoic acid; 6-[[(phenylmethyl)amino]methyl]naphthalene-2,3-diol; hydrochloride

Systemtic Name: ethanoic acid; 6-[[(phenylmethyl)amino]methyl]naphthalene-2,3-diol; hydrochloride Openeye Name: acetic acid; 6-[(benzylamino)methyl]naphthalene-2,3-diol; hydrochloride CAS Name: acetic acid; 6-[[(phenylmethyl)amino]methyl]naphthalene-2,3-diol; hydrochloride IUPAC Name: acetic acid; 6-[(benzylamino)methyl]naphthalene-2,3-diol; hydrochloride Traditional Name: acetic acid; 6-[(benzylamino)methyl]naphthalene-2,3-diol; hydrochloride Formula: C22H26ClNO6 MolecularWeight: 435.89794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCC2=CC3=CC(=C(C=C3C=C2)O)O.Cl

Isomeric SMILES

CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCC2=CC3=CC(=C(C=C3C=C2)O)O.Cl

InChI

InChI=1S/C18H17NO2.2C2H4O2.ClH/c20-17-9-15-7-6-14(8-16(15)10-18(17)21)12-19-11-13-4-2-1-3-5-13;2*1-2(3)4;/h1-10,19-21H,11-12H2;2*1H3,(H,3,4);1H