6-bromanyl-3-[(5S)-1-(2-morpholin-4-ium-4-ylethanoyl)-5-phenyl-pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one

Systemtic Name: 6-bromanyl-3-[(5S)-1-(2-morpholin-4-ium-4-ylethanoyl)-5-phenyl-pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one Openeye Name: 6-bromo-3-[(5S)-1-(2-morpholin-4-ium-4-ylacetyl)-5-phenyl-pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one CAS Name: 6-bromo-3-[(5S)-1-[2-(4-morpholin-4-iumyl)-1-oxoethyl]-5-phenyl-3-pyrazolidinylidene]-4-phenyl-2-quinolinone IUPAC Name: 6-bromo-3-[(5S)-1-(2-morpholin-4-ium-4-ylacetyl)-5-phenylpyrazolidin-3-ylidene]-4-phenylquinolin-2-one Traditional Name: 6-bromo-3-[(5S)-1-(2-morpholin-4-ium-4-ylacetyl)-5-phenyl-pyrazolidin-3-ylidene]-4-phenyl-carbostyril Formula: C30H28BrN4O3+ MolecularWeight: 572.47232

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)N2C(CC(=C3C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)N2)C6=CC=CC=C6

Isomeric SMILES

C1COCC[NH+]1CC(=O)N2[C@@H](CC(=C3C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)N2)C6=CC=CC=C6

InChI

InChI=1S/C30H27BrN4O3/c31-22-11-12-24-23(17-22)28(21-9-5-2-6-10-21)29(30(37)32-24)25-18-26(20-7-3-1-4-8-20)35(33-25)27(36)19-34-13-15-38-16-14-34/h1-12,17,26,33H,13-16,18-19H2/p+1/t26-/m0/s1