4-methyl-3-nitro-N-[2-oxidanylidene-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[2-oxidanylidene-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[2-oxo-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 4-methyl-3-nitro-N-[2-oxo-2-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: N-[2-keto-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]-4-methyl-3-nitro-benzamide Formula: C24H26N5O4S+ MolecularWeight: 480.55934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O4S/c1-17-7-8-19(13-21(17)29(32)33)23(31)25-14-22(30)28-11-9-27(10-12-28)15-20-16-34-24(26-20)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,25,31)/p+1