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

Systemtic Name: 3-[[(3R)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one Openeye Name: 3-[[(3R)-1-isopropylpiperidin-1-ium-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one CAS Name: 3-[[(3R)-1-propan-2-yl-3-piperidin-1-iumyl]methyl]-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 3-[[(3R)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one Traditional Name: 3-[[(3R)-1-isopropylpiperidin-1-ium-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCC(C1)CN2C=NC3=C(C2=O)C=CC=N3

Isomeric SMILES

CC(C)[NH+]1CCC[C@@H](C1)CN2C=NC3=C(C2=O)C=CC=N3

InChI

InChI=1S/C16H22N4O/c1-12(2)19-8-4-5-13(9-19)10-20-11-18-15-14(16(20)21)6-3-7-17-15/h3,6-7,11-13H,4-5,8-10H2,1-2H3/p+1/t13-/m0/s1