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

Systemtic Name: 1-[2-(2-tert-butyl-4-chloranyl-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[2-(2-tert-butyl-4-chloro-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[2-(2-tert-butyl-4-chloro-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium Formula: C17H29ClN2O+2 MolecularWeight: 312.87796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN2O/c1-17(2,3)15-13-14(18)5-6-16(15)21-12-11-20-9-7-19(4)8-10-20/h5-6,13H,7-12H2,1-4H3/p+2