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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C23H26N5O5S+ MolecularWeight: 484.54804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O5S/c1-32-18-5-3-4-16(12-18)20-15-34-23(25-20)27-10-8-26(9-11-27)14-22(29)24-19-7-6-17(28(30)31)13-21(19)33-2/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,29)/p+1