1-[3-(4-chloranyl-2,5-dimethyl-phenoxy)propyl]-4-ethyl-piperazin-4-ium

Systemtic Name: 1-[3-(4-chloranyl-2,5-dimethyl-phenoxy)propyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[3-(4-chloro-2,5-dimethyl-phenoxy)propyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[3-(4-chloro-2,5-dimethylphenoxy)propyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[3-(4-chloro-2,5-dimethylphenoxy)propyl]-4-ethylpiperazin-4-ium Traditional Name: 1-[3-(4-chloro-2,5-dimethyl-phenoxy)propyl]-4-ethyl-piperazin-4-ium Formula: C17H28ClN2O+ MolecularWeight: 311.87002

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCOC2=C(C=C(C(=C2)C)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCOC2=C(C=C(C(=C2)C)Cl)C

InChI

InChI=1S/C17H27ClN2O/c1-4-19-7-9-20(10-8-19)6-5-11-21-17-13-14(2)16(18)12-15(17)3/h12-13H,4-11H2,1-3H3/p+1