6-[[4-(1-adamantyl)piperazin-4-ium-1-yl]methyl]-2-oxidanylidene-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide

Systemtic Name: 6-[[4-(1-adamantyl)piperazin-4-ium-1-yl]methyl]-2-oxidanylidene-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide Openeye Name: 6-[[4-(1-adamantyl)piperazin-4-ium-1-yl]methyl]-2-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyridine-3-carboxamide CAS Name: 6-[[4-(1-adamantyl)-1-piperazin-4-iumyl]methyl]-2-oxo-N-[[(2R)-2-oxolanyl]methyl]-1H-pyridine-3-carboxamide IUPAC Name: 6-[[4-(1-adamantyl)piperazin-4-ium-1-yl]methyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide Traditional Name: 6-[[4-(1-adamantyl)piperazin-4-ium-1-yl]methyl]-2-keto-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyridine-3-carboxamide Formula: C26H39N4O3+ MolecularWeight: 455.61286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC=C(NC2=O)CN3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)C2=CC=C(NC2=O)CN3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H38N4O3/c31-24(27-16-22-2-1-9-33-22)23-4-3-21(28-25(23)32)17-29-5-7-30(8-6-29)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-4,18-20,22H,1-2,5-17H2,(H,27,31)(H,28,32)/p+1/t18?,19?,20?,22-,26?/m1/s1