3-[(3R)-1-[(6-chloranylquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[(6-chloranylquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[(3R)-1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-1-morpholino-propan-1-one CAS Name: 3-[(3R)-1-[(6-chloro-2-quinolinyl)methyl]-3-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[(3R)-1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-1-morpholino-propan-1-one Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=C(C=C2)C=C(C=C3)Cl)CCC(=O)N4CCOCC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=C(C=C2)C=C(C=C3)Cl)CCC(=O)N4CCOCC4

InChI

InChI=1S/C22H28ClN3O2/c23-19-5-7-21-18(14-19)4-6-20(24-21)16-25-9-1-2-17(15-25)3-8-22(27)26-10-12-28-13-11-26/h4-7,14,17H,1-3,8-13,15-16H2/p+1/t17-/m1/s1