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

Systemtic Name: 1-[[7-hexyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(7-hexyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(7-hexyl-1,3-dimethyl-2,6-dioxo-8-purinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(7-hexyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(7-hexyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C20H33N6O3+ MolecularWeight: 405.51442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H32N6O3/c1-4-5-6-7-10-26-15(13-25-11-8-14(9-12-25)17(21)27)22-18-16(26)19(28)24(3)20(29)23(18)2/h14H,4-13H2,1-3H3,(H2,21,27)/p+1