1-[2-(4-chloranyl-3-ethyl-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[2-(4-chloranyl-3-ethyl-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[2-(4-chloro-3-ethyl-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[2-(4-chloro-3-ethyl-phenoxy)ethyl]-4-ethyl-piperazine-1,4-diium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN2O/c1-3-14-13-15(5-6-16(14)17)20-12-11-19-9-7-18(4-2)8-10-19/h5-6,13H,3-4,7-12H2,1-2H3/p+2