1-methyl-4-[(3-methylphenyl)-phenyl-methyl]-1-propan-2-yl-piperazin-1-ium iodide

Systemtic Name: 1-methyl-4-[(3-methylphenyl)-phenyl-methyl]-1-propan-2-yl-piperazin-1-ium iodide Openeye Name: 1-isopropyl-1-methyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium iodide CAS Name: 1-methyl-4-[(3-methylphenyl)-phenylmethyl]-1-propan-2-ylpiperazin-1-ium iodide IUPAC Name: 1-methyl-4-[(3-methylphenyl)-phenylmethyl]-1-propan-2-ylpiperazin-1-ium iodide Traditional Name: 1-isopropyl-1-methyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium iodide Formula: C22H31IN2 MolecularWeight: 450.39941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N2.HI/c1-18(2)24(4)15-13-23(14-16-24)22(20-10-6-5-7-11-20)21-12-8-9-19(3)17-21;/h5-12,17-18,22H,13-16H2,1-4H3;1H/q+1;/p-1