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

Systemtic Name: 3-methyl-7-octyl-8-[4-(phenylmethyl)piperidin-1-ium-1-ylidene]-5H-purine-2,6-dione Openeye Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-3-methyl-7-octyl-5H-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-[4-(phenylmethyl)-1-piperidin-1-iumylidene]-5H-purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-3-methyl-7-octyl-5H-purine-2,6-dione Traditional Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-3-methyl-7-octyl-5H-purine-2,6-quinone Formula: C26H38N5O2+ MolecularWeight: 452.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H37N5O2/c1-3-4-5-6-7-11-16-31-22-23(29(2)26(33)28-24(22)32)27-25(31)30-17-14-21(15-18-30)19-20-12-9-8-10-13-20/h8-10,12-13,21-22H,3-7,11,14-19H2,1-2H3/p+1