2-[4-azanyl-1-(diphenylmethyl)oxy-2-oxidanylidene-pyrimidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-azanyl-1-(diphenylmethyl)oxy-2-oxidanylidene-pyrimidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-(4-amino-1-benzhydryloxy-2-oxo-pyrimidin-1-ium-1-yl)acetic acid CAS Name: 2-[4-amino-1-(diphenylmethyl)oxy-2-oxo-1-pyrimidin-1-iumyl]acetic acid IUPAC Name: 2-(4-amino-1-benzhydryloxy-2-oxopyrimidin-1-ium-1-yl)acetic acid Traditional Name: 2-(4-amino-1-benzhydryloxy-2-keto-pyrimidin-1-ium-1-yl)acetic acid Formula: C19H18N3O4+ MolecularWeight: 352.36392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)O[N+]3(C=CC(=NC3=O)N)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)O[N+]3(C=CC(=NC3=O)N)CC(=O)O

InChI

InChI=1S/C19H17N3O4/c20-16-11-12-22(13-17(23)24,19(25)21-16)26-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2,(H2-,20,21,23,24,25)/p+1