1-[4-(2-chloranyl-3,6-dimethyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[4-(2-chloranyl-3,6-dimethyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[4-(2-chloro-3,6-dimethyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[4-(2-chloro-3,6-dimethylphenoxy)butyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[4-(2-chloro-3,6-dimethylphenoxy)butyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[4-(2-chloro-3,6-dimethyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium Formula: C17H29ClN2O+2 MolecularWeight: 312.87796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)Cl)OCCCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)Cl)OCCCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C17H27ClN2O/c1-14-6-7-15(2)17(16(14)18)21-13-5-4-8-20-11-9-19(3)10-12-20/h6-7H,4-5,8-13H2,1-3H3/p+2