2-[[azanyl-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-ylidene]methyl]amino]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[azanyl-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-ylidene]methyl]amino]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[[amino-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-ylidene]methyl]amino]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[amino-[(3R,5S)-3,5-dimethyl-1-piperidin-1-iumylidene]methyl]amino]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[[amino-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-ylidene]methyl]amino]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[amino-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-ylidene]methyl]amino]-6-methyl-1H-pyrimidin-4-one Formula: C13H22N5O+ MolecularWeight: 264.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[N+](=C(N)NC2=NC(=O)C=C(N2)C)C1)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[N+](=C(N)NC2=NC(=O)C=C(N2)C)C1)C

InChI

InChI=1S/C13H21N5O/c1-8-4-9(2)7-18(6-8)12(14)17-13-15-10(3)5-11(19)16-13/h5,8-9H,4,6-7H2,1-3H3,(H3,14,15,16,17,19)/p+1/t8-,9+