7-hexyl-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione

Systemtic Name: 7-hexyl-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione Openeye Name: 7-hexyl-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione CAS Name: 7-hexyl-1,3-dimethyl-8-(1-piperidin-1-iumylmethyl)purine-2,6-dione IUPAC Name: 7-hexyl-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione Traditional Name: 7-hexyl-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)xanthine Formula: C19H32N5O2+ MolecularWeight: 362.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCCC3

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCCC3

InChI

InChI=1S/C19H31N5O2/c1-4-5-6-10-13-24-15(14-23-11-8-7-9-12-23)20-17-16(24)18(25)22(3)19(26)21(17)2/h4-14H2,1-3H3/p+1