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

Systemtic Name: 1-[2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[2-(2-benzyl-4-chloro-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[2-[4-chloro-2-(phenylmethyl)phenoxy]ethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[2-(2-benzyl-4-chloro-phenoxy)ethyl]-4-methyl-piperazine-1,4-diium Formula: C20H27ClN2O+2 MolecularWeight: 346.89418

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN2O/c1-22-9-11-23(12-10-22)13-14-24-20-8-7-19(21)16-18(20)15-17-5-3-2-4-6-17/h2-8,16H,9-15H2,1H3/p+2