6-(phenoxymethyl)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(phenoxymethyl)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(phenoxymethyl)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(phenoxymethyl)-2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(phenoxymethyl)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(phenoxymethyl)-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)COC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)COC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c26-21-14-19(16-27-20-6-2-1-3-7-20)23-22(24-21)18-10-8-17(9-11-18)15-25-12-4-5-13-25/h1-3,6-11,14H,4-5,12-13,15-16H2,(H,23,24,26)/p+1