4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[[2-(2-furyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[[2-(2-furanyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-3-nitrobenzamide IUPAC Name: 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-[[2-(2-furyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide Formula: C19H20N5O4S+ MolecularWeight: 414.4582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CO3)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CO3)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c20-18(25)13-3-4-15(16(10-13)24(26)27)23-7-5-22(6-8-23)11-14-12-29-19(21-14)17-2-1-9-28-17/h1-4,9-10,12H,5-8,11H2,(H2,20,25)/p+1