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

Systemtic Name: 2-[2-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one CAS Name: 2-[2-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-[2-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)COC4=CC=CC=C4

Isomeric SMILES

C1CNCC[NH+](C1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)COC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c28-22-15-19(17-29-20-8-2-1-3-9-20)25-23(26-22)21-10-5-4-7-18(21)16-27-13-6-11-24-12-14-27/h1-5,7-10,15,24H,6,11-14,16-17H2,(H,25,26,28)/p+1