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

Systemtic Name: N-(4-nitrophenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-nitrophenyl)-2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-nitrophenyl)-2-[4-(4-phenyl-2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-nitrophenyl)-2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H22N5O3S+ MolecularWeight: 424.49608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c27-20(22-17-6-8-18(9-7-17)26(28)29)14-24-10-12-25(13-11-24)21-23-19(15-30-21)16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,22,27)/p+1