1-[2-[2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethoxy]ethyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[2-[2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethoxy]ethyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2-[2-(2-benzyl-4-chloro-phenoxy)ethoxy]ethyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2-[2-[4-chloro-2-(phenylmethyl)phenoxy]ethoxy]ethyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazin-4-ium Traditional Name: 1-[2-[2-(2-benzyl-4-chloro-phenoxy)ethoxy]ethyl]-4-methyl-piperazin-4-ium Formula: C22H30ClN2O2+ MolecularWeight: 389.9388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCOCCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)CCOCCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H29ClN2O2/c1-24-9-11-25(12-10-24)13-14-26-15-16-27-22-8-7-21(23)18-20(22)17-19-5-3-2-4-6-19/h2-8,18H,9-17H2,1H3/p+1