3-[(3R)-1-(2-methoxyquinolin-4-yl)carbonylpiperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(2-methoxyquinolin-4-yl)carbonylpiperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(2-methoxyquinoline-4-carbonyl)-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(2-methoxy-4-quinolinyl)-oxomethyl]-3-piperidinyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-(2-methoxyquinoline-4-carbonyl)piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(2-methoxyquinoline-4-carbonyl)-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C24H33N4O3+ MolecularWeight: 425.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CC(=NC4=CC=CC=C43)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)C3=CC(=NC4=CC=CC=C43)OC

InChI

InChI=1S/C24H32N4O3/c1-26-12-14-27(15-13-26)23(29)10-9-18-6-5-11-28(17-18)24(30)20-16-22(31-2)25-21-8-4-3-7-19(20)21/h3-4,7-8,16,18H,5-6,9-15,17H2,1-2H3/p+1/t18-/m1/s1