(3R)-1-(4-chlorophenyl)carbonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-(4-chlorophenyl)carbonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide Openeye Name: (3R)-1-(4-chlorobenzoyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(4-chlorophenyl)-oxomethyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-(4-chlorobenzoyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide Traditional Name: (3R)-1-(4-chlorobenzoyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]nipecotamide Formula: C23H28ClN4O3+ MolecularWeight: 443.94642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H27ClN4O3/c24-20-6-4-18(5-7-20)23(30)28-9-1-2-19(16-28)22(29)26-15-17-3-8-21(25-14-17)27-10-12-31-13-11-27/h3-8,14,19H,1-2,9-13,15-16H2,(H,26,29)/p+1/t19-/m1/s1