(2S)-1-[4-(dimethylamino)-5-methyl-pyrimidin-1-ium-2-yl]-2-methyl-1,4-diazepan-5-one

Systemtic Name: (2S)-1-[4-(dimethylamino)-5-methyl-pyrimidin-1-ium-2-yl]-2-methyl-1,4-diazepan-5-one Openeye Name: (2S)-1-[4-(dimethylamino)-5-methyl-pyrimidin-1-ium-2-yl]-2-methyl-1,4-diazepan-5-one CAS Name: (2S)-1-[4-(dimethylamino)-5-methyl-2-pyrimidin-1-iumyl]-2-methyl-1,4-diazepan-5-one IUPAC Name: (2S)-1-[4-(dimethylamino)-5-methylpyrimidin-1-ium-2-yl]-2-methyl-1,4-diazepan-5-one Traditional Name: (2S)-1-[4-(dimethylamino)-5-methyl-pyrimidin-1-ium-2-yl]-2-methyl-1,4-diazepan-5-one Formula: C13H22N5O+ MolecularWeight: 264.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)CCN1C2=[NH+]C=C(C(=N2)N(C)C)C

Isomeric SMILES

C[C@H]1CNC(=O)CCN1C2=[NH+]C=C(C(=N2)N(C)C)C

InChI

InChI=1S/C13H21N5O/c1-9-7-15-13(16-12(9)17(3)4)18-6-5-11(19)14-8-10(18)2/h7,10H,5-6,8H2,1-4H3,(H,14,19)/p+1/t10-/m0/s1