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

Systemtic Name: 6-azanyl-5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-3-ethyl-pyrimidine-2,4-quinone Formula: C22H26N5O3+ MolecularWeight: 408.47354

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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=C(C=C3)N(C)C

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H25N5O3/c1-4-26-21(29)19(18(28)15-25-12-10-17(11-13-25)24(2)3)20(23)27(22(26)30)14-16-8-6-5-7-9-16/h5-13H,4,14-15H2,1-3H3,(H-,23,28,29)/p+1