N3-cyclooctyl-N5-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N3-cyclooctyl-N5-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide Openeye Name: N3-cyclooctyl-N5-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-4-oxo-1-(2-pyridylmethyl)pyridine-3,5-dicarboxamide CAS Name: N3-cyclooctyl-N5-[[(2S)-1-methyl-2-piperidin-1-iumyl]methyl]-4-oxo-1-(2-pyridinylmethyl)pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cyclooctyl-5-N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide Traditional Name: N-cyclooctyl-4-keto-N'-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-1-(2-pyridylmethyl)dinicotinamide Formula: C28H40N5O3+ MolecularWeight: 494.6489

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CNC(=O)C2=CN(C=C(C2=O)C(=O)NC3CCCCCCC3)CC4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCCC[C@H]1CNC(=O)C2=CN(C=C(C2=O)C(=O)NC3CCCCCCC3)CC4=CC=CC=N4

InChI

InChI=1S/C28H39N5O3/c1-32-16-10-8-14-23(32)17-30-27(35)24-19-33(18-22-13-7-9-15-29-22)20-25(26(24)34)28(36)31-21-11-5-3-2-4-6-12-21/h7,9,13,15,19-21,23H,2-6,8,10-12,14,16-18H2,1H3,(H,30,35)(H,31,36)/p+1/t23-/m0/s1