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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC(=O)C2=CC=CC3=CC=CC=C32.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCOC(=O)C2=CC=CC3=CC=CC=C32.[Cl-]

InChI

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