dimethyl-[2-oxidanyl-3-(3-piperidin-1-ylcarbonylnaphthalen-2-yl)oxy-propyl]azanium chloride

Systemtic Name: dimethyl-[2-oxidanyl-3-(3-piperidin-1-ylcarbonylnaphthalen-2-yl)oxy-propyl]azanium chloride Openeye Name: [2-hydroxy-3-[[3-(piperidine-1-carbonyl)-2-naphthyl]oxy]propyl]-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-[[3-[oxo(1-piperidinyl)methyl]-2-naphthalenyl]oxy]propyl]-dimethylammonium chloride IUPAC Name: [2-hydroxy-3-[3-(piperidine-1-carbonyl)naphthalen-2-yl]oxypropyl]-dimethylazanium chloride Traditional Name: [2-hydroxy-3-[3-(piperidine-1-carbonyl)-2-naphthoxy]propyl]-dimethyl-ammonium chloride Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(COC1=CC2=CC=CC=C2C=C1C(=O)N3CCCCC3)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC(COC1=CC2=CC=CC=C2C=C1C(=O)N3CCCCC3)O.[Cl-]

InChI

InChI=1S/C21H28N2O3.ClH/c1-22(2)14-18(24)15-26-20-13-17-9-5-4-8-16(17)12-19(20)21(25)23-10-6-3-7-11-23;/h4-5,8-9,12-13,18,24H,3,6-7,10-11,14-15H2,1-2H3;1H