(3R)-4-(2-azanyl-6-methyl-pyrimidin-3-ium-4-yl)-3-methyl-1-phenyl-piperazin-2-one

Systemtic Name: (3R)-4-(2-azanyl-6-methyl-pyrimidin-3-ium-4-yl)-3-methyl-1-phenyl-piperazin-2-one Openeye Name: (3R)-4-(2-amino-6-methyl-pyrimidin-3-ium-4-yl)-3-methyl-1-phenyl-piperazin-2-one CAS Name: (3R)-4-(2-amino-6-methyl-4-pyrimidin-3-iumyl)-3-methyl-1-phenyl-2-piperazinone IUPAC Name: (3R)-4-(2-amino-6-methylpyrimidin-3-ium-4-yl)-3-methyl-1-phenylpiperazin-2-one Traditional Name: (3R)-4-(2-amino-6-methyl-pyrimidin-3-ium-4-yl)-3-methyl-1-phenyl-piperazin-2-one Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C2=[NH+]C(=NC(=C2)C)N)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1C(=O)N(CCN1C2=[NH+]C(=NC(=C2)C)N)C3=CC=CC=C3

InChI

InChI=1S/C16H19N5O/c1-11-10-14(19-16(17)18-11)20-8-9-21(15(22)12(20)2)13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H2,17,18,19)/p+1/t12-/m1/s1