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

Systemtic Name: 4-oxidanylidene-N-(phenylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-benzyl-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: 4-oxo-N-(phenylmethyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-benzyl-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: N-benzyl-4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2/c25-19(22-16-17-6-2-1-3-7-17)9-10-20(26)24-14-12-23(13-15-24)18-8-4-5-11-21-18/h1-8,11H,9-10,12-16H2,(H,22,25)/p+1