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

Systemtic Name: 1-[2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[2-(2-benzyl-4-chloro-phenoxy)ethyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[2-[4-chloro-2-(phenylmethyl)phenoxy]ethyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]-4-ethylpiperazin-4-ium Traditional Name: 1-[2-(2-benzyl-4-chloro-phenoxy)ethyl]-4-ethyl-piperazin-4-ium Formula: C21H28ClN2O+ MolecularWeight: 359.91282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O/c1-2-23-10-12-24(13-11-23)14-15-25-21-9-8-20(22)17-19(21)16-18-6-4-3-5-7-18/h3-9,17H,2,10-16H2,1H3/p+1