2-(azepan-1-ium-1-yl)ethyl naphthalene-2-carboxylate chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)ethyl naphthalene-2-carboxylate chloride Openeye Name: 2-(azepan-1-ium-1-yl)ethyl naphthalene-2-carboxylate chloride CAS Name: 2-naphthalenecarboxylic acid 2-(1-azepan-1-iumyl)ethyl ester chloride IUPAC Name: 2-(azepan-1-ium-1-yl)ethyl naphthalene-2-carboxylate chloride Traditional Name: naphthalene-2-carboxylic acid 2-(azepan-1-ium-1-yl)ethyl ester chloride Formula: C19H24ClNO2 MolecularWeight: 333.85236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC(=O)C2=CC3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCOC(=O)C2=CC3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C19H23NO2.ClH/c21-19(22-14-13-20-11-5-1-2-6-12-20)18-10-9-16-7-3-4-8-17(16)15-18;/h3-4,7-10,15H,1-2,5-6,11-14H2;1H