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

Systemtic Name: 1-[3-(2-tert-butyl-4-chloranyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[3-(2-tert-butyl-4-chloro-phenoxy)propyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[3-(2-tert-butyl-4-chloro-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Formula: C18H31ClN2O+2 MolecularWeight: 326.90454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN2O/c1-18(2,3)16-14-15(19)6-7-17(16)22-13-5-8-21-11-9-20(4)10-12-21/h6-7,14H,5,8-13H2,1-4H3/p+2