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

Systemtic Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-thiazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-2-(4-nitrophenoxy)acetamide Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-13-6-8-21(9-7-13)10-14-12-27-18(19-14)20-17(23)11-26-16-4-2-15(3-5-16)22(24)25/h2-5,12-13H,6-11H2,1H3,(H,19,20,23)/p+1