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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(1-ethylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(1-ethylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(1-ethyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(1-ethylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(1-ethylpiperidin-1-ium-4-yl)propionamide Formula: C24H41N6O3+ MolecularWeight: 461.62074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3CC[NH+](CC3)CC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3CC[NH+](CC3)CC

InChI

InChI=1S/C24H40N6O3/c1-4-7-9-15-29-19(10-11-20(31)25-18-12-16-28(6-3)17-13-18)26-22-21(29)23(32)27-24(33)30(22)14-8-5-2/h18H,4-17H2,1-3H3,(H,25,31)(H,27,32,33)/p+1