2-[2-[[(2S)-2,4-dimethyl-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-pyridin-3-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[[(2S)-2,4-dimethyl-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-pyridin-3-yl-1H-pyrimidin-4-one Openeye Name: 2-[2-[[(2S)-2,4-dimethyl-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-(3-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[2-[[(2S)-2,4-dimethyl-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-(3-pyridinyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-[[(2S)-2,4-dimethyl-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-pyridin-3-yl-1H-pyrimidin-4-one Traditional Name: 2-[2-[[(2S)-2,4-dimethyl-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-(3-pyridyl)-1H-pyrimidin-4-one Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC[NH+]1CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4=CN=CC=C4)C

Isomeric SMILES

C[C@H]1CN(CCC[NH+]1CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4=CN=CC=C4)C

InChI

InChI=1S/C23H27N5O/c1-17-15-27(2)11-6-12-28(17)16-19-7-3-4-9-20(19)23-25-21(13-22(29)26-23)18-8-5-10-24-14-18/h3-5,7-10,13-14,17H,6,11-12,15-16H2,1-2H3,(H,25,26,29)/p+1/t17-/m0/s1