6-cyclopropyl-2-[4-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-cyclopropyl-2-[4-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-cyclopropyl-2-[4-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-cyclopropyl-2-[4-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-cyclopropyl-2-[4-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-cyclopropyl-2-[4-(1,4-oxazepan-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCOC1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CC4

Isomeric SMILES

C1C[NH+](CCOC1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CC4

InChI

InChI=1S/C19H23N3O2/c23-18-12-17(15-6-7-15)20-19(21-18)16-4-2-14(3-5-16)13-22-8-1-10-24-11-9-22/h2-5,12,15H,1,6-11,13H2,(H,20,21,23)/p+1