(phenylmethyl) N-[3-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]carbamate iodide

Systemtic Name: (phenylmethyl) N-[3-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]carbamate iodide Openeye Name: benzyl N-[3-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]carbamate iodide CAS Name: N-[3-(4,4-dimethyl-1-piperazin-4-iumyl)phenyl]carbamic acid (phenylmethyl) ester iodide IUPAC Name: benzyl N-[3-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]carbamate iodide Traditional Name: N-[3-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]carbamic acid benzyl ester iodide Formula: C20H26IN3O2 MolecularWeight: 467.34381

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC(=CC=C2)NC(=O)OCC3=CC=CC=C3)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC(=CC=C2)NC(=O)OCC3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C20H25N3O2.HI/c1-23(2)13-11-22(12-14-23)19-10-6-9-18(15-19)21-20(24)25-16-17-7-4-3-5-8-17;/h3-10,15H,11-14,16H2,1-2H3;1H