N3-cyclooctyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)-N5-(3-pyrrolidin-1-ium-1-ylpropyl)pyridine-3,5-dicarboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCCC[NH+]3CCCC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)NCCC[NH+]3CCCC3)CC4=CC=CC=N4

InChI

InChI=1S/C28H39N5O3/c34-26-24(27(35)30-15-10-18-32-16-8-9-17-32)20-33(19-23-13-6-7-14-29-23)21-25(26)28(36)31-22-11-4-2-1-3-5-12-22/h6-7,13-14,20-22H,1-5,8-12,15-19H2,(H,30,35)(H,31,36)/p+1