6-azanyl-5-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]-3-ethyl-pyrimidine-2,4-quinone Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=CC(=C3C)C

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=CC(=C3C)C

InChI

InChI=1S/C22H24N4O3/c1-4-25-21(28)19(18(27)14-24-12-8-9-15(2)16(24)3)20(23)26(22(25)29)13-17-10-6-5-7-11-17/h5-12H,4,13-14H2,1-3H3,(H-,23,27,28)/p+1