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

Systemtic Name: 4-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-3-nitrobenzamide IUPAC Name: 4-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide Formula: C22H24N5O4S+ MolecularWeight: 454.52206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

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