3-(azepan-1-ium-1-yl)propyl 2-(4-chloranylphenoxy)ethanoate chloride

Systemtic Name: 3-(azepan-1-ium-1-yl)propyl 2-(4-chloranylphenoxy)ethanoate chloride Openeye Name: 3-(azepan-1-ium-1-yl)propyl 2-(4-chlorophenoxy)acetate chloride CAS Name: 2-(4-chlorophenoxy)acetic acid 3-(1-azepan-1-iumyl)propyl ester chloride IUPAC Name: 3-(azepan-1-ium-1-yl)propyl 2-(4-chlorophenoxy)acetate chloride Traditional Name: 2-(4-chlorophenoxy)acetic acid 3-(azepan-1-ium-1-yl)propyl ester chloride Formula: C17H25Cl2NO3 MolecularWeight: 362.2913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCOC(=O)COC2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCCOC(=O)COC2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C17H24ClNO3.ClH/c18-15-6-8-16(9-7-15)22-14-17(20)21-13-5-12-19-10-3-1-2-4-11-19;/h6-9H,1-5,10-14H2;1H