1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C22H32N6O+2 MolecularWeight: 396.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O/c1-19-4-2-5-20(16-19)17-25-8-12-27(13-9-25)21(29)18-26-10-14-28(15-11-26)22-23-6-3-7-24-22/h2-7,16H,8-15,17-18H2,1H3/p+2