Compound C18H16ClNO4

5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

CAS: 20225-99-4

Molecular Formula	`C18H16ClNO4`
Molecular Weight	345.8 g/mol
Topological Polar Surface Area	50.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	345.07678
Heavy Atoms	24
Complexity	495.0

Chemical Identifiers

CAS Number	20225-99-4
SMILES	`CC1CC2=CC3=C(C=C2C(=[NH+]1)C4=CC5=C(C=C4)OCO5)OCO3.[Cl-]`
InChIKey	`NFXXQECVKKXORP-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H16ClNO4 (CAS: 20225-99-4) is a chemical compound with molecular formula C18H16ClNO4 and molecular weight 345.8 g/mol. Its IUPAC systematic name is 5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride. Topological Polar Surface Area 50.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 345.07678 Heavy Atoms 24 Complexity 495.0 InChI Key: NFXXQECVKKXORP-UHFFFAOYSA-N. SMILES: CC1CC2=CC3=C(C=C2C(=[NH+]1)C4=CC5=C(C=C4)OCO5)OCO3.[Cl-].

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