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

Systemtic Name: 1-ethyl-1-methyl-4-[(3-methylphenyl)-phenyl-methyl]piperazin-1-ium iodide Openeye Name: 1-ethyl-1-methyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium iodide CAS Name: 1-ethyl-1-methyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium iodide IUPAC Name: 1-ethyl-1-methyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium iodide Traditional Name: 1-ethyl-1-methyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium iodide Formula: C21H29IN2 MolecularWeight: 436.37283

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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)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H29N2.HI/c1-4-23(3)15-13-22(14-16-23)21(19-10-6-5-7-11-19)20-12-8-9-18(2)17-20;/h5-12,17,21H,4,13-16H2,1-3H3;1H/q+1;/p-1