6-cyclobutyl-2-[3-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-cyclobutyl-2-[3-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-cyclobutyl-2-[3-[[3-[(2S)-2-methyl-1-piperidyl]azetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-cyclobutyl-2-[3-[[3-[(2S)-2-methyl-1-piperidinyl]-1-azetidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-cyclobutyl-2-[3-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-cyclobutyl-2-[3-[[3-[(2S)-2-methylpiperidino]azetidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2C[NH+](C2)CC3=CC=CC(=C3)C4=NC(=O)C=C(N4)C5CCC5

Isomeric SMILES

C[C@H]1CCCCN1C2C[NH+](C2)CC3=CC=CC(=C3)C4=NC(=O)C=C(N4)C5CCC5

InChI

InChI=1S/C24H32N4O/c1-17-6-2-3-11-28(17)21-15-27(16-21)14-18-7-4-10-20(12-18)24-25-22(13-23(29)26-24)19-8-5-9-19/h4,7,10,12-13,17,19,21H,2-3,5-6,8-9,11,14-16H2,1H3,(H,25,26,29)/p+1/t17-/m0/s1