Compound C16H18ClNO3

1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride

CAS: 72512-00-6

Molecular Formula	`C16H18ClNO3`
Molecular Weight	307.77 g/mol
Topological Polar Surface Area	66.3 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	307.09753
Heavy Atoms	21
Complexity	317.0

Chemical Identifiers

CAS Number	72512-00-6
SMILES	`COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O.[Cl-]`
InChIKey	`SUPIHZOSKIASLT-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H18ClNO3 (CAS: 72512-00-6) is a chemical compound with molecular formula C16H18ClNO3 and molecular weight 307.77 g/mol. Its IUPAC systematic name is 1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride. Topological Polar Surface Area 66.3 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 307.09753 Heavy Atoms 21 Complexity 317.0 InChI Key: SUPIHZOSKIASLT-UHFFFAOYSA-N. SMILES: COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O.[Cl-].

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