1,3-dimethyl-8-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-7H-purine-2,6-dione Openeye Name: 8-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-7H-purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2/c1-23-18-17(19(26)24(2)20(23)27)21-16(22-18)13-25-10-8-15(9-11-25)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,21,22)/p+1