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

Systemtic Name: N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(2-chlorophenyl)thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[4-(2-chlorophenyl)-2-thiazolyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(2-chlorophenyl)thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C21H21ClN5O3S+ MolecularWeight: 458.94114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN5O3S/c1-25-8-10-26(11-9-25)18-7-6-14(12-19(18)27(29)30)20(28)24-21-23-17(13-31-21)15-4-2-3-5-16(15)22/h2-7,12-13H,8-11H2,1H3,(H,23,24,28)/p+1