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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-25-9-11-26(12-10-25)19-8-5-16(13-20(19)27(29)30)21(28)24-22-23-18(14-32-22)15-3-6-17(31-2)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,28)/p+1