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

Systemtic Name: 2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazin-1-iumyl]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C23H26N5O4S+ MolecularWeight: 468.54864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H25N5O4S/c1-16-12-18(28(30)31)6-7-20(16)24-22(29)14-26-8-10-27(11-9-26)23-25-21(15-33-23)17-4-3-5-19(13-17)32-2/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,29)/p+1