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

Systemtic Name: 6-chloranyl-3-[(5R)-5-(furan-2-yl)-1-(2-pyrrolidin-1-ium-1-ylethanoyl)pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one Openeye Name: 6-chloro-3-[(5R)-5-(2-furyl)-1-(2-pyrrolidin-1-ium-1-ylacetyl)pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one CAS Name: 6-chloro-3-[(5R)-5-(2-furanyl)-1-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolidinylidene]-4-phenyl-2-quinolinone IUPAC Name: 6-chloro-3-[(5R)-5-(furan-2-yl)-1-(2-pyrrolidin-1-ium-1-ylacetyl)pyrazolidin-3-ylidene]-4-phenylquinolin-2-one Traditional Name: 6-chloro-3-[(5R)-5-(2-furyl)-1-(2-pyrrolidin-1-ium-1-ylacetyl)pyrazolidin-3-ylidene]-4-phenyl-carbostyril Formula: C28H26ClN4O3+ MolecularWeight: 501.98404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2C(CC(=C3C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)N2)C6=CC=CO6

Isomeric SMILES

C1CC[NH+](C1)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/C28H25ClN4O3/c29-19-10-11-21-20(15-19)26(18-7-2-1-3-8-18)27(28(35)30-21)22-16-23(24-9-6-14-36-24)33(31-22)25(34)17-32-12-4-5-13-32/h1-3,6-11,14-15,23,31H,4-5,12-13,16-17H2/p+1/t23-/m1/s1