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

Systemtic Name: 1-[3-[4-chloranyl-2-(phenylmethyl)phenoxy]propyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[3-(2-benzyl-4-chloro-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[3-[4-chloro-2-(phenylmethyl)phenoxy]propyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[3-(2-benzyl-4-chlorophenoxy)propyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[3-(2-benzyl-4-chloro-phenoxy)propyl]-4-ethyl-piperazine-1,4-diium Formula: C22H31ClN2O+2 MolecularWeight: 374.94734

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H29ClN2O/c1-2-24-12-14-25(15-13-24)11-6-16-26-22-10-9-21(23)18-20(22)17-19-7-4-3-5-8-19/h3-5,7-10,18H,2,6,11-17H2,1H3/p+2