4-[(3-chlorophenyl)-phenyl-methyl]-1,1-diethyl-piperazin-1-ium iodide

Systemtic Name: 4-[(3-chlorophenyl)-phenyl-methyl]-1,1-diethyl-piperazin-1-ium iodide Openeye Name: 4-[(3-chlorophenyl)-phenyl-methyl]-1,1-diethyl-piperazin-1-ium iodide CAS Name: 4-[(3-chlorophenyl)-phenylmethyl]-1,1-diethylpiperazin-1-ium iodide IUPAC Name: 4-[(3-chlorophenyl)-phenylmethyl]-1,1-diethylpiperazin-1-ium iodide Traditional Name: 4-[(3-chlorophenyl)-phenyl-methyl]-1,1-diethyl-piperazin-1-ium iodide Formula: C21H28ClIN2 MolecularWeight: 470.81789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN2.HI/c1-3-24(4-2)15-13-23(14-16-24)21(18-9-6-5-7-10-18)19-11-8-12-20(22)17-19;/h5-12,17,21H,3-4,13-16H2,1-2H3;1H/q+1;/p-1