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

Systemtic Name: 6-methyl-3-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1H-pyridin-2-one Openeye Name: 6-methyl-3-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1H-pyridin-2-one CAS Name: 6-methyl-3-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]-1H-pyridin-2-one IUPAC Name: 6-methyl-3-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1H-pyridin-2-one Traditional Name: 6-methyl-3-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]-2-pyridone Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1)C[NH+]2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C(=O)N1)C[NH+]2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H21N5O/c1-13-4-5-14(15(22)19-13)12-20-8-3-9-21(11-10-20)16-17-6-2-7-18-16/h2,4-7H,3,8-12H2,1H3,(H,19,22)/p+1