5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pentanamide

Systemtic Name: 5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pentanamide Openeye Name: 5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(2-pyridylmethyl)pentanamide CAS Name: 5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-N-(2-pyridinylmethyl)pentanamide IUPAC Name: 5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pentanamide Traditional Name: 5-keto-5-(4-pyridin-1-ium-2-ylpiperazino)-N-(2-pyridylmethyl)valeramide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H25N5O2/c26-19(23-16-17-6-1-3-10-21-17)8-5-9-20(27)25-14-12-24(13-15-25)18-7-2-4-11-22-18/h1-4,6-7,10-11H,5,8-9,12-16H2,(H,23,26)/p+1