N'-(4,6-dimethylpyrimidin-2-yl)-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene]methanediamine

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene]methanediamine Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene]methanediamine CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene]methanediamine IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene]methanediamine Traditional Name: [amino-[(5S)-5-phenyl-2-pyrazolin-1-ium-1-ylidene]methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C16H19N6+ MolecularWeight: 295.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2C(CC=N2)C3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2[C@@H](CC=N2)C3=CC=CC=C3)N)C

InChI

InChI=1S/C16H18N6/c1-11-10-12(2)20-16(19-11)21-15(17)22-14(8-9-18-22)13-6-4-3-5-7-13/h3-7,9-10,14H,8H2,1-2H3,(H2,17,19,20,21)/p+1/t14-/m0/s1