N,N-bis(2-chloroethyl)-5-(2,3-dimethylphenyl)hexan-1-amine hydrochloride

Systemtic Name: N,N-bis(2-chloroethyl)-5-(2,3-dimethylphenyl)hexan-1-amine hydrochloride Openeye Name: N,N-bis(2-chloroethyl)-5-(2,3-dimethylphenyl)hexan-1-amine hydrochloride CAS Name: N,N-bis(2-chloroethyl)-5-(2,3-dimethylphenyl)-1-hexanamine hydrochloride IUPAC Name: N,N-bis(2-chloroethyl)-5-(2,3-dimethylphenyl)hexan-1-amine hydrochloride Traditional Name: bis(2-chloroethyl)-[5-(2,3-dimethylphenyl)hexyl]amine hydrochloride Formula: C18H30Cl3N MolecularWeight: 366.7965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)CCCCN(CCCl)CCCl)C.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)CCCCN(CCCl)CCCl)C.Cl

InChI

InChI=1S/C18H29Cl2N.ClH/c1-15-8-6-9-18(17(15)3)16(2)7-4-5-12-21(13-10-19)14-11-20;/h6,8-9,16H,4-5,7,10-14H2,1-3H3;1H