N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide Openeye Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholino-pyridin-1-ium-2-carboxamide CAS Name: N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-4-(4-morpholinyl)-2-pyridin-1-iumcarboxamide IUPAC Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide Traditional Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholino-pyridin-1-ium-2-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

InChI

InChI=1S/C21H23N5O2/c1-16(17-2-4-18(5-3-17)26-9-8-22-15-26)24-21(27)20-14-19(6-7-23-20)25-10-12-28-13-11-25/h2-9,14-16H,10-13H2,1H3,(H,24,27)/p+1/t16-/m1/s1