3-[[(2S)-1-ethylpiperidin-1-ium-2-yl]methyl]pyrido[3,4-d]pyrimidin-4-one

Systemtic Name: 3-[[(2S)-1-ethylpiperidin-1-ium-2-yl]methyl]pyrido[3,4-d]pyrimidin-4-one Openeye Name: 3-[[(2S)-1-ethylpiperidin-1-ium-2-yl]methyl]pyrido[3,4-d]pyrimidin-4-one CAS Name: 3-[[(2S)-1-ethyl-2-piperidin-1-iumyl]methyl]-4-pyrido[3,4-d]pyrimidinone IUPAC Name: 3-[[(2S)-1-ethylpiperidin-1-ium-2-yl]methyl]pyrido[3,4-d]pyrimidin-4-one Traditional Name: 3-[[(2S)-1-ethylpiperidin-1-ium-2-yl]methyl]pyrido[3,4-d]pyrimidin-4-one Formula: C15H21N4O+ MolecularWeight: 273.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCCC1CN2C=NC3=C(C2=O)C=CN=C3

Isomeric SMILES

CC[NH+]1CCCC[C@H]1CN2C=NC3=C(C2=O)C=CN=C3

InChI

InChI=1S/C15H20N4O/c1-2-18-8-4-3-5-12(18)10-19-11-17-14-9-16-7-6-13(14)15(19)20/h6-7,9,11-12H,2-5,8,10H2,1H3/p+1/t12-/m0/s1