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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC(C)CCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H31N5O2/c1-16(2)9-14-28-19-20(26(3)23(30)25-21(19)29)24-22(28)27-12-10-18(11-13-27)15-17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3/p+1