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

Systemtic Name: 3-methyl-7-pentyl-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-pentyl-5H-purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-[4-(phenylmethyl)-1-piperidin-1-iumylidene]-5H-purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-3-methyl-7-pentyl-5H-purine-2,6-dione Traditional Name: 7-amyl-8-(4-benzylpiperidin-1-ium-1-ylidene)-3-methyl-5H-purine-2,6-quinone Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H31N5O2/c1-3-4-8-13-28-19-20(26(2)23(30)25-21(19)29)24-22(28)27-14-11-18(12-15-27)16-17-9-6-5-7-10-17/h5-7,9-10,18-19H,3-4,8,11-16H2,1-2H3/p+1