N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide Traditional Name: 2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C23H27N4O6+ MolecularWeight: 455.48368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)[NH+]4CCCCC4

InChI

InChI=1S/C23H26N4O6/c1-32-18-8-5-16(6-9-18)20(25-11-3-2-4-12-25)14-24-22(28)15-26-19-10-7-17(27(30)31)13-21(19)33-23(26)29/h5-10,13,20H,2-4,11-12,14-15H2,1H3,(H,24,28)/p+1/t20-/m0/s1