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

Systemtic Name: N-(furan-2-ylmethyl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-(2-furylmethyl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-(2-furanylmethyl)-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: N-(2-furfuryl)-4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H22N4O3/c23-17(20-14-15-4-3-13-25-15)6-7-18(24)22-11-9-21(10-12-22)16-5-1-2-8-19-16/h1-5,8,13H,6-7,9-12,14H2,(H,20,23)/p+1