2,6-dimethyl-5-[3-oxidanylidene-3-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propyl]-1H-pyrimidin-4-one

Systemtic Name: 2,6-dimethyl-5-[3-oxidanylidene-3-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propyl]-1H-pyrimidin-4-one Openeye Name: 5-[3-[2-(isopropylamino)pyridin-1-ium-1-yl]-3-oxo-propyl]-2,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2,6-dimethyl-5-[3-oxo-3-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]propyl]-1H-pyrimidin-4-one IUPAC Name: 2,6-dimethyl-5-[3-oxo-3-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propyl]-1H-pyrimidin-4-one Traditional Name: 5-[3-[2-(isopropylamino)pyridin-1-ium-1-yl]-3-keto-propyl]-2,6-dimethyl-1H-pyrimidin-4-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)[N+]2=CC=CC=C2NC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)[N+]2=CC=CC=C2NC(C)C

InChI

InChI=1S/C17H22N4O2/c1-11(2)18-15-7-5-6-10-21(15)16(22)9-8-14-12(3)19-13(4)20-17(14)23/h5-7,10-11H,8-9H2,1-4H3,(H,19,20,23)/p+1