1-[2-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[2-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]ethyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-methylpiperazin-4-ium Traditional Name: 1-[2-(4-tert-amyl-2-chloro-phenoxy)ethyl]-4-methyl-piperazin-4-ium Formula: C18H30ClN2O+ MolecularWeight: 325.8966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCN2CC[NH+](CC2)C)Cl

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCN2CC[NH+](CC2)C)Cl

InChI

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