1-[[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-purin-8-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[1,3-dimethyl-7-(1-naphthalenylmethyl)-2,6-dioxo-8-purinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2,6-diketo-1,3-dimethyl-7-(1-naphthylmethyl)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C25H29N6O3+ MolecularWeight: 461.53616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCC(CC3)C(=O)N)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCC(CC3)C(=O)N)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H28N6O3/c1-28-23-21(24(33)29(2)25(28)34)31(14-18-8-5-7-16-6-3-4-9-19(16)18)20(27-23)15-30-12-10-17(11-13-30)22(26)32/h3-9,17H,10-15H2,1-2H3,(H2,26,32)/p+1