6-(5-methoxy-2-oxidanyl-phenyl)-2-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(5-methoxy-2-oxidanyl-phenyl)-2-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(2-hydroxy-5-methoxy-phenyl)-2-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2-hydroxy-5-methoxyphenyl)-2-[3-(1-pyrrolidin-1-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2-hydroxy-5-methoxyphenyl)-2-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(2-hydroxy-5-methoxy-phenyl)-2-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)O)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H23N3O3/c1-28-17-7-8-20(26)18(12-17)19-13-21(27)24-22(23-19)16-6-4-5-15(11-16)14-25-9-2-3-10-25/h4-8,11-13,26H,2-3,9-10,14H2,1H3,(H,23,24,27)/p+1