5-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]carbamoyl]-2-nitro-phenolate Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-13-6-8-21(9-7-13)16(18-3-2-10-27-18)12-20-19(24)14-4-5-15(22(25)26)17(23)11-14/h2-5,10-11,13,16,23H,6-9,12H2,1H3,(H,20,24)/t16-/m1/s1