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

Systemtic Name: 1,1-diethyl-4-[(3-methylphenyl)-phenyl-methyl]piperazin-1-ium iodide Openeye Name: 1,1-diethyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium iodide CAS Name: 1,1-diethyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium iodide IUPAC Name: 1,1-diethyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium iodide Traditional Name: 1,1-diethyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium iodide Formula: C22H31IN2 MolecularWeight: 450.39941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N2.HI/c1-4-24(5-2)16-14-23(15-17-24)22(20-11-7-6-8-12-20)21-13-9-10-19(3)18-21;/h6-13,18,22H,4-5,14-17H2,1-3H3;1H/q+1;/p-1