1-methyl-4-[(1-methyl-3-pyrrol-1-yl-pyrazol-4-yl)methyl]-2,6-dihydropyrazin-4-ium-3-one

Systemtic Name: 1-methyl-4-[(1-methyl-3-pyrrol-1-yl-pyrazol-4-yl)methyl]-2,6-dihydropyrazin-4-ium-3-one Openeye Name: 1-methyl-4-[(1-methyl-3-pyrrol-1-yl-pyrazol-4-yl)methyl]-2,6-dihydropyrazin-4-ium-3-one CAS Name: 1-methyl-4-[[1-methyl-3-(1-pyrrolyl)-4-pyrazolyl]methyl]-2,6-dihydropyrazin-4-ium-3-one IUPAC Name: 1-methyl-4-[(1-methyl-3-pyrrol-1-ylpyrazol-4-yl)methyl]-2,6-dihydropyrazin-4-ium-3-one Traditional Name: 1-methyl-4-[(1-methyl-3-pyrrol-1-yl-pyrazol-4-yl)methyl]-2,6-dihydropyrazin-4-ium-3-one Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=[N+](C(=O)C1)CC2=CN(N=C2N3C=CC=C3)C

Isomeric SMILES

CN1CC=[N+](C(=O)C1)CC2=CN(N=C2N3C=CC=C3)C

InChI

InChI=1S/C14H18N5O/c1-16-7-8-19(13(20)11-16)10-12-9-17(2)15-14(12)18-5-3-4-6-18/h3-6,8-9H,7,10-11H2,1-2H3/q+1