2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C16H21N4+ MolecularWeight: 269.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H20N4/c1-14-5-2-3-6-15(14)13-19-9-11-20(12-10-19)16-17-7-4-8-18-16/h2-8H,9-13H2,1H3/p+1