1-(1,3-benzoxazol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]isonipecotamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H27N5O3/c29-22(25-16-17-5-6-21(24-15-17)27-11-13-30-14-12-27)18-7-9-28(10-8-18)23-26-19-3-1-2-4-20(19)31-23/h1-6,15,18H,7-14,16H2,(H,25,29)/p+1