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

Systemtic Name: 2-chloranyl-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-4-nitro-benzamide Formula: C23H23ClN5O4S+ MolecularWeight: 500.97782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H22ClN5O4S/c1-15-25-16(14-34-15)13-27-8-10-28(11-9-27)23(31)19-4-2-3-5-21(19)26-22(30)18-7-6-17(29(32)33)12-20(18)24/h2-7,12,14H,8-11,13H2,1H3,(H,26,30)/p+1