N-[4-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[4-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide Openeye Name: N-[4-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]thiazol-2-yl]furan-2-carboxamide CAS Name: N-[4-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-2-thiazolyl]-2-furancarboxamide IUPAC Name: N-[4-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide Traditional Name: N-[4-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]thiazol-2-yl]-2-furamide Formula: C20H22N5O3S+ MolecularWeight: 412.48538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=CSC(=N3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=CSC(=N3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H21N5O3S/c26-18(25-11-9-24(10-12-25)17-5-1-2-8-21-17)7-6-15-14-29-20(22-15)23-19(27)16-4-3-13-28-16/h1-5,8,13-14H,6-7,9-12H2,(H,22,23,27)/p+1