6-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-(4-pyridin-1-ium-2-ylpiperazino)-1H-pyrimidin-4-one Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H17N5O/c1-11-10-13(20)17-14(16-11)19-8-6-18(7-9-19)12-4-2-3-5-15-12/h2-5,10H,6-9H2,1H3,(H,16,17,20)/p+1