3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]pyrido[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]pyrido[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[(2S)-1-propan-2-yl-2-piperidin-1-iumyl]ethyl]-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]pyrido[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]pyrido[2,3-d]pyrimidin-4-one Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCCC1CCN2C=NC3=C(C2=O)C=CC=N3

Isomeric SMILES

CC(C)[NH+]1CCCC[C@H]1CCN2C=NC3=C(C2=O)C=CC=N3

InChI

InChI=1S/C17H24N4O/c1-13(2)21-10-4-3-6-14(21)8-11-20-12-19-16-15(17(20)22)7-5-9-18-16/h5,7,9,12-14H,3-4,6,8,10-11H2,1-2H3/p+1/t14-/m0/s1