methyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(4-phenyl-2-thiazolyl)-1-piperazin-1-iumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C23H25N4O3S+ MolecularWeight: 437.5346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c1-30-22(29)18-7-9-19(10-8-18)24-21(28)15-26-11-13-27(14-12-26)23-25-20(16-31-23)17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,24,28)/p+1