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

Systemtic Name: 1-methyl-4-[(3-methylphenyl)methyl]piperazin-1-ium Openeye Name: 1-methyl-4-(m-tolylmethyl)piperazin-1-ium CAS Name: 1-methyl-4-[(3-methylphenyl)methyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[(3-methylphenyl)methyl]piperazin-1-ium Traditional Name: 1-methyl-4-(3-methylbenzyl)piperazin-1-ium Formula: C13H21N2+ MolecularWeight: 205.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[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+1