1-methyl-4-[(3-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-(m-tolylmethyl)piperazine-1,4-diium CAS Name: 1-methyl-4-[(3-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-(3-methylbenzyl)piperazine-1,4-diium Formula: C13H22N2+2 MolecularWeight: 206.32718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C13H20N2/c1-12-4-3-5-13(10-12)11-15-8-6-14(2)7-9-15/h3-5,10H,6-9,11H2,1-2H3/p+2