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

Systemtic Name: 1,1-dimethyl-4-[(3-methylphenyl)-phenyl-methyl]piperazin-1-ium iodide Openeye Name: 1,1-dimethyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium iodide CAS Name: 1,1-dimethyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium iodide IUPAC Name: 1,1-dimethyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium iodide Traditional Name: 1,1-dimethyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium iodide Formula: C20H27IN2 MolecularWeight: 422.34625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CC=C2)N3CC[N+](CC3)(C)C.[I-]

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=CC=C2)N3CC[N+](CC3)(C)C.[I-]

InChI

InChI=1S/C20H27N2.HI/c1-17-8-7-11-19(16-17)20(18-9-5-4-6-10-18)21-12-14-22(2,3)15-13-21;/h4-11,16,20H,12-15H2,1-3H3;1H/q+1;/p-1