1-[4-(4-chloranyl-3-ethyl-phenoxy)butyl]-4-ethyl-piperazin-1-ium

Systemtic Name: 1-[4-(4-chloranyl-3-ethyl-phenoxy)butyl]-4-ethyl-piperazin-1-ium Openeye Name: 1-[4-(4-chloro-3-ethyl-phenoxy)butyl]-4-ethyl-piperazin-1-ium CAS Name: 1-[4-(4-chloro-3-ethylphenoxy)butyl]-4-ethylpiperazin-1-ium IUPAC Name: 1-[4-(4-chloro-3-ethylphenoxy)butyl]-4-ethylpiperazin-1-ium Traditional Name: 1-[4-(4-chloro-3-ethyl-phenoxy)butyl]-4-ethyl-piperazin-1-ium Formula: C18H30ClN2O+ MolecularWeight: 325.8966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCCC[NH+]2CCN(CC2)CC)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCCC[NH+]2CCN(CC2)CC)Cl

InChI

InChI=1S/C18H29ClN2O/c1-3-16-15-17(7-8-18(16)19)22-14-6-5-9-21-12-10-20(4-2)11-13-21/h7-8,15H,3-6,9-14H2,1-2H3/p+1