(3-carboxy-4-methyl-3-naphthalen-1-yl-pentyl)-diethyl-azanium chloride

Systemtic Name: (3-carboxy-4-methyl-3-naphthalen-1-yl-pentyl)-diethyl-azanium chloride Openeye Name: [3-carboxy-4-methyl-3-(1-naphthyl)pentyl]-diethyl-ammonium chloride CAS Name: [3-carboxy-4-methyl-3-(1-naphthalenyl)pentyl]-diethylammonium chloride IUPAC Name: (3-carboxy-4-methyl-3-naphthalen-1-ylpentyl)-diethylazanium chloride Traditional Name: [3-carboxy-4-methyl-3-(1-naphthyl)pentyl]-diethyl-ammonium chloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(C1=CC=CC2=CC=CC=C21)(C(C)C)C(=O)O.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCC(C1=CC=CC2=CC=CC=C21)(C(C)C)C(=O)O.[Cl-]

InChI

InChI=1S/C21H29NO2.ClH/c1-5-22(6-2)15-14-21(16(3)4,20(23)24)19-13-9-11-17-10-7-8-12-18(17)19;/h7-13,16H,5-6,14-15H2,1-4H3,(H,23,24);1H