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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C16H19N5O3S/c1-12(15(22)18-13-4-2-3-5-14(13)21(23)24)19-7-9-20(10-8-19)16-17-6-11-25-16/h2-6,11-12H,7-10H2,1H3,(H,18,22)/p+1/t12-/m1/s1