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

Systemtic Name: N-[4-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]thiazol-2-yl]benzamide CAS Name: N-[4-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-2-thiazolyl]benzamide IUPAC Name: N-[4-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]thiazol-2-yl]benzamide Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c28-20(27-14-12-26(13-15-27)19-8-4-5-11-23-19)10-9-18-16-30-22(24-18)25-21(29)17-6-2-1-3-7-17/h1-8,11,16H,9-10,12-15H2,(H,24,25,29)/p+1