Compound C17H24ClNO2

7-methyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride

CAS: 96401-68-2

Molecular Formula	`C17H24ClNO2`
Molecular Weight	309.8 g/mol
Topological Polar Surface Area	30.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	309.14957
Heavy Atoms	21
Complexity	338.0

Chemical Identifiers

CAS Number	96401-68-2
SMILES	`CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCC3.[Cl-]`
InChIKey	`HXVSRHFBERGWGN-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H24ClNO2 (CAS: 96401-68-2) is a chemical compound with molecular formula C17H24ClNO2 and molecular weight 309.8 g/mol. Its IUPAC systematic name is 7-methyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride. Topological Polar Surface Area 30.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 309.14957 Heavy Atoms 21 Complexity 338.0 InChI Key: HXVSRHFBERGWGN-UHFFFAOYSA-N. SMILES: CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCC3.[Cl-].

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