N-(1,3-benzodioxol-5-yl)-1-[[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C24H31N6O5+ MolecularWeight: 483.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H30N6O5/c1-3-4-9-30-21-20(23(32)27-24(30)33)28(2)19(26-21)13-29-10-7-15(8-11-29)22(31)25-16-5-6-17-18(12-16)35-14-34-17/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H,25,31)(H,27,32,33)/p+1