N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-nitrophenoxy)acetamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H25N3O4S/c1-15-8-10-22(11-9-15)18(19-3-2-12-28-19)13-21-20(24)14-27-17-6-4-16(5-7-17)23(25)26/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,21,24)/p+1/t18-/m1/s1