1-[[1,3-dimethyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[1,3-dimethyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(7-isopentyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(7-isoamyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C19H31N6O3+ MolecularWeight: 391.48784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C19H30N6O3/c1-12(2)5-10-25-14(11-24-8-6-13(7-9-24)16(20)26)21-17-15(25)18(27)23(4)19(28)22(17)3/h12-13H,5-11H2,1-4H3,(H2,20,26)/p+1