N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]pyrazine-2-carboxamide

Systemtic Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]pyrazine-2-carboxamide Openeye Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]pyrazine-2-carboxamide CAS Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-ylethyl]pyrazine-2-carboxamide Traditional Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]pyrazinamide Formula: C19H25N4O4+ MolecularWeight: 373.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C2=NC=CN=C2)[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CNC(=O)C2=NC=CN=C2)[NH+]3CCOCC3)OC

InChI

InChI=1S/C19H24N4O4/c1-25-17-4-3-14(11-18(17)26-2)16(23-7-9-27-10-8-23)13-22-19(24)15-12-20-5-6-21-15/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,22,24)/p+1/t16-/m0/s1