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

Systemtic Name: 3-[(3R)-1-[(6-chloranylquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[(6-chloro-2-quinolinyl)methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN3O/c23-19-7-9-21-18(14-19)6-8-20(24-21)16-25-11-3-4-17(15-25)5-10-22(27)26-12-1-2-13-26/h6-9,14,17H,1-5,10-13,15-16H2/p+1/t17-/m1/s1