1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-methyl-piperazin-4-ium Formula: C18H22ClN2O+ MolecularWeight: 317.83308

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN2O/c1-20-9-11-21(12-10-20)14-15-3-2-4-18(13-15)22-17-7-5-16(19)6-8-17/h2-8,13H,9-12,14H2,1H3/p+1