methyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(piperidin-1-ium-1-ylmethyl)purin-7-yl]ethanoate

Systemtic Name: methyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(piperidin-1-ium-1-ylmethyl)purin-7-yl]ethanoate Openeye Name: methyl 2-[1,3-dimethyl-2,6-dioxo-8-(piperidin-1-ium-1-ylmethyl)purin-7-yl]acetate CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-piperidin-1-iumylmethyl)-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1,3-dimethyl-2,6-dioxo-8-(piperidin-1-ium-1-ylmethyl)purin-7-yl]acetate Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purin-7-yl]acetic acid methyl ester Formula: C16H24N5O4+ MolecularWeight: 350.39286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCCCC3)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCCCC3)CC(=O)OC

InChI

InChI=1S/C16H23N5O4/c1-18-14-13(15(23)19(2)16(18)24)21(10-12(22)25-3)11(17-14)9-20-7-5-4-6-8-20/h4-10H2,1-3H3/p+1