(3S)-3-[[2-(dimethylamino)-5,6-dimethyl-pyrimidin-3-ium-4-yl]amino]azepan-2-one

Systemtic Name: (3S)-3-[[2-(dimethylamino)-5,6-dimethyl-pyrimidin-3-ium-4-yl]amino]azepan-2-one Openeye Name: (3S)-3-[[2-(dimethylamino)-5,6-dimethyl-pyrimidin-3-ium-4-yl]amino]azepan-2-one CAS Name: (3S)-3-[[2-(dimethylamino)-5,6-dimethyl-4-pyrimidin-3-iumyl]amino]-2-azepanone IUPAC Name: (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-3-ium-4-yl]amino]azepan-2-one Traditional Name: (3S)-3-[[2-(dimethylamino)-5,6-dimethyl-pyrimidin-3-ium-4-yl]amino]azepan-2-one Formula: C14H24N5O+ MolecularWeight: 278.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C([NH+]=C1NC2CCCCNC2=O)N(C)C)C

Isomeric SMILES

CC1=C(N=C([NH+]=C1N[C@H]2CCCCNC2=O)N(C)C)C

InChI

InChI=1S/C14H23N5O/c1-9-10(2)16-14(19(3)4)18-12(9)17-11-7-5-6-8-15-13(11)20/h11H,5-8H2,1-4H3,(H,15,20)(H,16,17,18)/p+1/t11-/m0/s1