8-chloranyl-1,3-dimethyl-purin-3-ium-2,6-dione; 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine

Systemtic Name: 8-chloranyl-1,3-dimethyl-purin-3-ium-2,6-dione; 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine Openeye Name: 2-benzhydryloxy-N,N-dimethyl-ethanamine; 8-chloro-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 8-chloro-1,3-dimethylpurin-3-ium-2,6-dione; 2-(diphenylmethyl)oxy-N,N-dimethylethanamine IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine; 8-chloro-1,3-dimethylpurin-3-ium-2,6-dione Traditional Name: 2-benzhydryloxyethyl(dimethyl)amine; 8-chloro-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C24H27ClN5O3+ MolecularWeight: 468.95588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO.C7H6ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3/q;+1