methanal; 5-[oxidanyl-(6-phenethylpiperidin-2-yl)methyl]benzene-1,3-diol; hydrochloride

Systemtic Name: methanal; 5-[oxidanyl-(6-phenethylpiperidin-2-yl)methyl]benzene-1,3-diol; hydrochloride Openeye Name: formaldehyde; 5-[hydroxy-(6-phenethyl-2-piperidyl)methyl]benzene-1,3-diol; hydrochloride CAS Name: formaldehyde; 5-[hydroxy-(6-phenethyl-2-piperidinyl)methyl]benzene-1,3-diol; hydrochloride IUPAC Name: formaldehyde; 5-[hydroxy-(6-phenethylpiperidin-2-yl)methyl]benzene-1,3-diol; hydrochloride Traditional Name: formaldehyde; 5-[hydroxy-(6-phenethyl-2-piperidyl)methyl]resorcinol; hydrochloride Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1CC(NC(C1)C(C2=CC(=CC(=C2)O)O)O)CCC3=CC=CC=C3.Cl

Isomeric SMILES

C=O.C1CC(NC(C1)C(C2=CC(=CC(=C2)O)O)O)CCC3=CC=CC=C3.Cl

InChI

InChI=1S/C20H25NO3.CH2O.ClH/c22-17-11-15(12-18(23)13-17)20(24)19-8-4-7-16(21-19)10-9-14-5-2-1-3-6-14;1-2;/h1-3,5-6,11-13,16,19-24H,4,7-10H2;1H2;1H