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

Systemtic Name: 1-[4-[4-chloranyl-2-(phenylmethyl)phenoxy]butyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[4-(2-benzyl-4-chloro-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[4-[4-chloro-2-(phenylmethyl)phenoxy]butyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[4-(2-benzyl-4-chlorophenoxy)butyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[4-(2-benzyl-4-chloro-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium Formula: C23H33ClN2O+2 MolecularWeight: 388.97392

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C23H31ClN2O/c1-2-25-13-15-26(16-14-25)12-6-7-17-27-23-11-10-22(24)19-21(23)18-20-8-4-3-5-9-20/h3-5,8-11,19H,2,6-7,12-18H2,1H3/p+2