N-cyclooctyl-4-oxidanylidene-5-(4-propan-2-ylpiperazin-4-ium-1-yl)carbonyl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: N-cyclooctyl-4-oxidanylidene-5-(4-propan-2-ylpiperazin-4-ium-1-yl)carbonyl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide Openeye Name: N-cyclooctyl-5-(4-isopropylpiperazin-4-ium-1-carbonyl)-4-oxo-1-(2-pyridylmethyl)pyridine-3-carboxamide CAS Name: N-cyclooctyl-4-oxo-5-[oxo-(4-propan-2-yl-1-piperazin-4-iumyl)methyl]-1-(2-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: N-cyclooctyl-4-oxo-5-(4-propan-2-ylpiperazin-4-ium-1-carbonyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide Traditional Name: N-cyclooctyl-5-(4-isopropylpiperazin-4-ium-1-carbonyl)-4-keto-1-(2-pyridylmethyl)nicotinamide Formula: C28H40N5O3+ MolecularWeight: 494.6489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C(=O)C2=CN(C=C(C2=O)C(=O)NC3CCCCCCC3)CC4=CC=CC=N4

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C(=O)C2=CN(C=C(C2=O)C(=O)NC3CCCCCCC3)CC4=CC=CC=N4

InChI

InChI=1S/C28H39N5O3/c1-21(2)32-14-16-33(17-15-32)28(36)25-20-31(18-23-12-8-9-13-29-23)19-24(26(25)34)27(35)30-22-10-6-4-3-5-7-11-22/h8-9,12-13,19-22H,3-7,10-11,14-18H2,1-2H3,(H,30,35)/p+1