3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(1-ethylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(1-ethylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(1-ethylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(1-ethyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(1-ethylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(1-ethylpiperidin-1-ium-4-yl)propionamide Formula: C23H39N6O3+ MolecularWeight: 447.59416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3CC[NH+](CC3)CC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3CC[NH+](CC3)CC)CC(C)C

InChI

InChI=1S/C23H38N6O3/c1-5-7-12-28-21-20(22(31)26-23(28)32)29(15-16(3)4)18(25-21)8-9-19(30)24-17-10-13-27(6-2)14-11-17/h16-17H,5-15H2,1-4H3,(H,24,30)(H,26,31,32)/p+1