N-(2-imidazol-1-ylethyl)-2-morpholin-4-yl-6-phenyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2-imidazol-1-ylethyl)-2-morpholin-4-yl-6-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2-imidazol-1-ylethyl)-2-morpholino-6-phenyl-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(1-imidazolyl)ethyl]-2-(4-morpholinyl)-6-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2-imidazol-1-ylethyl)-2-morpholin-4-yl-6-phenylpyridin-1-ium-3-carboxamide Traditional Name: N-(2-imidazol-1-ylethyl)-2-morpholino-6-phenyl-pyridin-1-ium-3-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C(=O)NCCN4C=CN=C4

Isomeric SMILES

C1COCCN1C2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C(=O)NCCN4C=CN=C4

InChI

InChI=1S/C21H23N5O2/c27-21(23-9-11-25-10-8-22-16-25)18-6-7-19(17-4-2-1-3-5-17)24-20(18)26-12-14-28-15-13-26/h1-8,10,16H,9,11-15H2,(H,23,27)/p+1