4-[[4-[4-oxidanylidene-6-[(2R)-oxolan-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-4-ium-2-one

Systemtic Name: 4-[[4-[4-oxidanylidene-6-[(2R)-oxolan-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-4-ium-2-one Openeye Name: 4-[[4-[4-oxo-6-[(2R)-tetrahydrofuran-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-4-ium-2-one CAS Name: 4-[[4-[4-oxo-6-[(2R)-2-oxolanyl]-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-4-ium-2-one IUPAC Name: 4-[[4-[4-oxo-6-[(2R)-oxolan-2-yl]-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-4-ium-2-one Traditional Name: 4-[4-[4-keto-6-[(2R)-tetrahydrofuran-2-yl]-1H-pyrimidin-2-yl]benzyl]-1,4-diazepan-4-ium-2-one Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CCCNC(=O)C4

Isomeric SMILES

C1C[C@@H](OC1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CCCNC(=O)C4

InChI

InChI=1S/C20H24N4O3/c25-18-11-16(17-3-1-10-27-17)22-20(23-18)15-6-4-14(5-7-15)12-24-9-2-8-21-19(26)13-24/h4-7,11,17H,1-3,8-10,12-13H2,(H,21,26)(H,22,23,25)/p+1/t17-/m1/s1