3-[4-(diphenylmethyl)oxypiperidin-1-yl]-1,3-dimethyl-7-propyl-purin-3-ium-2,6-dione

Systemtic Name: 3-[4-(diphenylmethyl)oxypiperidin-1-yl]-1,3-dimethyl-7-propyl-purin-3-ium-2,6-dione Openeye Name: 3-(4-benzhydryloxy-1-piperidyl)-1,3-dimethyl-7-propyl-purin-3-ium-2,6-dione CAS Name: 3-[4-(diphenylmethyl)oxy-1-piperidinyl]-1,3-dimethyl-7-propylpurin-3-ium-2,6-dione IUPAC Name: 3-(4-benzhydryloxypiperidin-1-yl)-1,3-dimethyl-7-propylpurin-3-ium-2,6-dione Traditional Name: 3-(4-benzhydryloxypiperidino)-1,3-dimethyl-7-propyl-purin-3-ium-2,6-quinone Formula: C28H34N5O3+ MolecularWeight: 488.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)[N+]2(C)N3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)[N+]2(C)N3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H34N5O3/c1-4-17-31-20-29-26-24(31)27(34)30(2)28(35)33(26,3)32-18-15-23(16-19-32)36-25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,20,23,25H,4,15-19H2,1-3H3/q+1