4,5-dimethoxy-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-2-nitro-benzamide Formula: C19H24N3O6S+ MolecularWeight: 422.47536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC[C@H](C2=CC=CS2)[NH+]3CCOCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H23N3O6S/c1-26-16-10-13(14(22(24)25)11-17(16)27-2)19(23)20-12-15(18-4-3-9-29-18)21-5-7-28-8-6-21/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,20,23)/p+1/t15-/m1/s1