ethanolate; 1-methyl-4-[(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-2,6-dihydropyrazin-4-ium-3-one

Systemtic Name: ethanolate; 1-methyl-4-[(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-2,6-dihydropyrazin-4-ium-3-one Openeye Name: ethanolate; 1-methyl-4-[(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-2,6-dihydropyrazin-4-ium-3-one CAS Name: ethanolate; 1-methyl-4-[[1-methyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-2,6-dihydropyrazin-4-ium-3-one IUPAC Name: ethanolate; 1-methyl-4-[(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-2,6-dihydropyrazin-4-ium-3-one Traditional Name: ethanolate; 1-methyl-4-[(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-2,6-dihydropyrazin-4-ium-3-one Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CN1CC=[N+](C(=O)C1)CC2=C(N(N=C2)C)N3C=CC=C3

Isomeric SMILES

CC[O-].CN1CC=[N+](C(=O)C1)CC2=C(N(N=C2)C)N3C=CC=C3

InChI

InChI=1S/C14H18N5O.C2H5O/c1-16-7-8-19(13(20)11-16)10-12-9-15-17(2)14(12)18-5-3-4-6-18;1-2-3/h3-6,8-9H,7,10-11H2,1-2H3;2H2,1H3/q+1;-1