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

Systemtic Name: 3-methyl-7-nonyl-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-nonyl-5H-purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-[4-(phenylmethyl)-1-piperidin-1-iumylidene]-5H-purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-3-methyl-7-nonyl-5H-purine-2,6-dione Traditional Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-3-methyl-7-nonyl-5H-purine-2,6-quinone Formula: C27H40N5O2+ MolecularWeight: 466.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H39N5O2/c1-3-4-5-6-7-8-12-17-32-23-24(30(2)27(34)29-25(23)33)28-26(32)31-18-15-22(16-19-31)20-21-13-10-9-11-14-21/h9-11,13-14,22-23H,3-8,12,15-20H2,1-2H3/p+1