6-chloranyl-3-[(5S)-5-(furan-2-yl)-1-(2-piperidin-1-ium-1-ylethanoyl)pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one

Systemtic Name: 6-chloranyl-3-[(5S)-5-(furan-2-yl)-1-(2-piperidin-1-ium-1-ylethanoyl)pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one Openeye Name: 6-chloro-3-[(5S)-5-(2-furyl)-1-(2-piperidin-1-ium-1-ylacetyl)pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one CAS Name: 6-chloro-3-[(5S)-5-(2-furanyl)-1-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolidinylidene]-4-phenyl-2-quinolinone IUPAC Name: 6-chloro-3-[(5S)-5-(furan-2-yl)-1-(2-piperidin-1-ium-1-ylacetyl)pyrazolidin-3-ylidene]-4-phenylquinolin-2-one Traditional Name: 6-chloro-3-[(5S)-5-(2-furyl)-1-(2-piperidin-1-ium-1-ylacetyl)pyrazolidin-3-ylidene]-4-phenyl-carbostyril Formula: C29H28ClN4O3+ MolecularWeight: 516.01062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2C(CC(=C3C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)N2)C6=CC=CO6

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2[C@@H](CC(=C3C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)N2)C6=CC=CO6

InChI

InChI=1S/C29H27ClN4O3/c30-20-11-12-22-21(16-20)27(19-8-3-1-4-9-19)28(29(36)31-22)23-17-24(25-10-7-15-37-25)34(32-23)26(35)18-33-13-5-2-6-14-33/h1,3-4,7-12,15-16,24,32H,2,5-6,13-14,17-18H2/p+1/t24-/m0/s1