4-[(4-chlorophenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide

Systemtic Name: 4-[(4-chlorophenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide Openeye Name: 4-[(4-chlorophenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide CAS Name: 4-[(4-chlorophenyl)-phenylmethyl]-1-ethyl-1-methylpiperazin-1-ium iodide IUPAC Name: 4-[(4-chlorophenyl)-phenylmethyl]-1-ethyl-1-methylpiperazin-1-ium iodide Traditional Name: 4-[(4-chlorophenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide Formula: C20H26ClIN2 MolecularWeight: 456.79131

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C.[I-]

InChI

InChI=1S/C20H26ClN2.HI/c1-3-23(2)15-13-22(14-16-23)20(17-7-5-4-6-8-17)18-9-11-19(21)12-10-18;/h4-12,20H,3,13-16H2,1-2H3;1H/q+1;/p-1