N-(2-methyl-6-oxidanylidene-9-phenyl-purin-1-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-methyl-6-oxidanylidene-9-phenyl-purin-1-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-methyl-6-oxo-9-phenyl-purin-1-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(2-methyl-6-oxo-9-phenyl-1-purinyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(6-keto-2-methyl-9-phenyl-purin-1-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C19H23N6O2+ MolecularWeight: 367.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1NC(=O)C[NH+]3CCCCC3)N=CN2C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=O)N1NC(=O)C[NH+]3CCCCC3)N=CN2C4=CC=CC=C4

InChI

InChI=1S/C19H22N6O2/c1-14-21-18-17(20-13-24(18)15-8-4-2-5-9-15)19(27)25(14)22-16(26)12-23-10-6-3-7-11-23/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,22,26)/p+1