4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-pyridin-3-yl-butanamide

Systemtic Name: 4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-pyridin-3-yl-butanamide Openeye Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(3-pyridyl)butanamide CAS Name: 4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-N-(3-pyridinyl)butanamide IUPAC Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-pyridin-3-ylbutanamide Traditional Name: 4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)-N-(3-pyridyl)butyramide Formula: C18H22N5O2+ MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C18H21N5O2/c24-17(21-15-4-3-8-19-14-15)6-7-18(25)23-12-10-22(11-13-23)16-5-1-2-9-20-16/h1-5,8-9,14H,6-7,10-13H2,(H,21,24)/p+1