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

Systemtic Name: 7-hexyl-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-hexyl-3-methyl-5H-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[4-(phenylmethyl)-1-piperidin-1-iumylidene]-5H-purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-7-hexyl-3-methyl-5H-purine-2,6-dione Traditional Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-7-hexyl-3-methyl-5H-purine-2,6-quinone Formula: C24H34N5O2+ MolecularWeight: 424.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H33N5O2/c1-3-4-5-9-14-29-20-21(27(2)24(31)26-22(20)30)25-23(29)28-15-12-19(13-16-28)17-18-10-7-6-8-11-18/h6-8,10-11,19-20H,3-5,9,12-17H2,1-2H3/p+1