2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazin-1-iumyl]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Formula: C22H24N5O4S+ MolecularWeight: 454.52206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-31-17-6-4-5-16(13-17)19-15-32-22(24-19)26-11-9-25(10-12-26)14-21(28)23-18-7-2-3-8-20(18)27(29)30/h2-8,13,15H,9-12,14H2,1H3,(H,23,28)/p+1