methyl 2-[(5S)-4-oxidanylidene-2-piperidin-1-ium-1-ylidene-1,3-diazinan-5-yl]ethanoate

Systemtic Name: methyl 2-[(5S)-4-oxidanylidene-2-piperidin-1-ium-1-ylidene-1,3-diazinan-5-yl]ethanoate Openeye Name: methyl 2-[(5S)-4-oxo-2-piperidin-1-ium-1-ylidene-hexahydropyrimidin-5-yl]acetate CAS Name: 2-[(5S)-4-oxo-2-(1-piperidin-1-iumylidene)-1,3-diazinan-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(5S)-4-oxo-2-piperidin-1-ium-1-ylidene-1,3-diazinan-5-yl]acetate Traditional Name: 2-[(5S)-4-keto-2-piperidin-1-ium-1-ylidene-hexahydropyrimidin-5-yl]acetic acid methyl ester Formula: C12H20N3O3+ MolecularWeight: 254.3055

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CNC(=[N+]2CCCCC2)NC1=O

Isomeric SMILES

COC(=O)C[C@H]1CNC(=[N+]2CCCCC2)NC1=O

InChI

InChI=1S/C12H19N3O3/c1-18-10(16)7-9-8-13-12(14-11(9)17)15-5-3-2-4-6-15/h9H,2-8H2,1H3,(H,13,14,17)/p+1/t9-/m0/s1