2-(4-methylazepan-1-yl)ethyl 2,4-bis(chloranyl)benzoate hydrochloride

Systemtic Name: 2-(4-methylazepan-1-yl)ethyl 2,4-bis(chloranyl)benzoate hydrochloride Openeye Name: 2-(4-methylazepan-1-yl)ethyl 2,4-dichlorobenzoate hydrochloride CAS Name: 2,4-dichlorobenzoic acid 2-(4-methyl-1-azepanyl)ethyl ester hydrochloride IUPAC Name: 2-(4-methylazepan-1-yl)ethyl 2,4-dichlorobenzoate hydrochloride Traditional Name: 2,4-dichlorobenzoic acid 2-(4-methylazepan-1-yl)ethyl ester hydrochloride Formula: C16H22Cl3NO2 MolecularWeight: 366.71038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(CC1)CCOC(=O)C2=C(C=C(C=C2)Cl)Cl.Cl

Isomeric SMILES

CC1CCCN(CC1)CCOC(=O)C2=C(C=C(C=C2)Cl)Cl.Cl

InChI

InChI=1S/C16H21Cl2NO2.ClH/c1-12-3-2-7-19(8-6-12)9-10-21-16(20)14-5-4-13(17)11-15(14)18;/h4-5,11-12H,2-3,6-10H2,1H3;1H