N-methyl-N-(4-nitrophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-N-(4-nitrophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-methyl-N-(4-nitrophenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-methyl-N-(4-nitrophenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-(4-nitrophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-methyl-N-(4-nitrophenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H20N5O3S+ MolecularWeight: 362.4267

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C16H19N5O3S/c1-18(13-2-4-14(5-3-13)21(23)24)15(22)12-19-7-9-20(10-8-19)16-17-6-11-25-16/h2-6,11H,7-10,12H2,1H3/p+1