4-[(3-ethoxyphenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide

Systemtic Name: 4-[(3-ethoxyphenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide Openeye Name: 4-[(3-ethoxyphenyl)-phenyl-methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide CAS Name: 4-[(3-ethoxyphenyl)-phenylmethyl]-1-ethyl-1-methylpiperazin-1-ium iodide IUPAC Name: 4-[(3-ethoxyphenyl)-phenylmethyl]-1-ethyl-1-methylpiperazin-1-ium iodide Traditional Name: 1-ethyl-1-methyl-4-[m-phenetyl(phenyl)methyl]piperazin-1-ium iodide Formula: C22H31IN2O MolecularWeight: 466.39881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N2O.HI/c1-4-24(3)16-14-23(15-17-24)22(19-10-7-6-8-11-19)20-12-9-13-21(18-20)25-5-2;/h6-13,18,22H,4-5,14-17H2,1-3H3;1H/q+1;/p-1