7-[(2-chlorophenyl)methyl]-3-methyl-8-[4-(phenylmethyl)piperidin-1-ium-1-ylidene]-5H-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[4-(phenylmethyl)piperidin-1-ium-1-ylidene]-5H-purine-2,6-dione Openeye Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-7-[(2-chlorophenyl)methyl]-3-methyl-5H-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[4-(phenylmethyl)-1-piperidin-1-iumylidene]-5H-purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-7-[(2-chlorophenyl)methyl]-3-methyl-5H-purine-2,6-dione Traditional Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-7-(2-chlorobenzyl)-3-methyl-5H-purine-2,6-quinone Formula: C25H27ClN5O2+ MolecularWeight: 464.96718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+]3CCC(CC3)CC4=CC=CC=C4)N(C2C(=O)NC1=O)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=NC(=[N+]3CCC(CC3)CC4=CC=CC=C4)N(C2C(=O)NC1=O)CC5=CC=CC=C5Cl

InChI

InChI=1S/C25H26ClN5O2/c1-29-22-21(23(32)28-25(29)33)31(16-19-9-5-6-10-20(19)26)24(27-22)30-13-11-18(12-14-30)15-17-7-3-2-4-8-17/h2-10,18,21H,11-16H2,1H3/p+1