4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide Formula: C25H24N5O4S+ MolecularWeight: 490.55416

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O4S/c1-28-11-13-29(14-12-28)21-10-7-17(15-22(21)30(32)33)24(31)27-25-26-20-9-8-19(16-23(20)35-25)34-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,26,27,31)/p+1