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

Systemtic Name: 1-[2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2-(2-benzyl-4-chloro-phenoxy)ethyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2-[4-chloro-2-(phenylmethyl)phenoxy]ethyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]-4-methylpiperazin-4-ium Traditional Name: 1-[2-(2-benzyl-4-chloro-phenoxy)ethyl]-4-methyl-piperazin-4-ium Formula: C20H26ClN2O+ MolecularWeight: 345.88624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1