N3-cyclooctyl-4-oxidanylidene-1-[[(2R)-oxolan-2-yl]methyl]-N5-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N3-cyclooctyl-4-oxidanylidene-1-[[(2R)-oxolan-2-yl]methyl]-N5-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide Openeye Name: N3-cyclooctyl-4-oxo-N5-(2-pyrrolidin-1-ium-1-ylethyl)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3,5-dicarboxamide CAS Name: N3-cyclooctyl-4-oxo-1-[[(2R)-2-oxolanyl]methyl]-N5-[2-(1-pyrrolidin-1-iumyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cyclooctyl-4-oxo-1-[[(2R)-oxolan-2-yl]methyl]-5-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3,5-dicarboxamide Traditional Name: N-cyclooctyl-4-keto-N'-(2-pyrrolidin-1-ium-1-ylethyl)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]dinicotinamide Formula: C26H41N4O4+ MolecularWeight: 473.62814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCC[NH+]3CCCC3)CC4CCCO4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCC[NH+]3CCCC3)C[C@H]4CCCO4

InChI

InChI=1S/C26H40N4O4/c31-24-22(25(32)27-12-15-29-13-6-7-14-29)18-30(17-21-11-8-16-34-21)19-23(24)26(33)28-20-9-4-2-1-3-5-10-20/h18-21H,1-17H2,(H,27,32)(H,28,33)/p+1/t21-/m1/s1