2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-6-[(3R)-oxolan-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-6-[(3R)-oxolan-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-6-[(3R)-tetrahydrofuran-3-yl]-1H-pyrimidin-4-one CAS Name: 2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-6-[(3R)-3-oxolanyl]-1H-pyrimidin-4-one IUPAC Name: 2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-6-[(3R)-oxolan-3-yl]-1H-pyrimidin-4-one Traditional Name: 2-[3-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-6-[(3R)-tetrahydrofuran-3-yl]-1H-pyrimidin-4-one Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCOC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCOC4

Isomeric SMILES

C1C[NH+](CCOC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)[C@H]4CCOC4

InChI

InChI=1S/C20H25N3O3/c24-19-12-18(17-5-9-26-14-17)21-20(22-19)16-4-1-3-15(11-16)13-23-6-2-8-25-10-7-23/h1,3-4,11-12,17H,2,5-10,13-14H2,(H,21,22,24)/p+1/t17-/m0/s1