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

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C25H34N7O3+ MolecularWeight: 480.58256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H33N7O3/c1-28-20-19(21(33)29(2)24(28)35)32(17-18-9-5-3-6-10-18)23(27-20)30-15-11-25(12-16-30,22(26)34)31-13-7-4-8-14-31/h3,5-6,9-10H,4,7-8,11-17H2,1-2H3,(H2,26,34)/p+1