2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide CAS Name: 2-(4-nitrophenoxy)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]acetamide IUPAC Name: 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide Formula: C17H21N4O4S+ MolecularWeight: 377.43804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c22-16(11-25-15-6-4-14(5-7-15)21(23)24)19-17-18-13(12-26-17)10-20-8-2-1-3-9-20/h4-7,12H,1-3,8-11H2,(H,18,19,22)/p+1