6-bromanyl-4-phenyl-3-[(3S)-3-phenyl-2-(2-piperidin-1-ium-1-ylethanoyl)-1,3-dihydropyrazol-5-yl]-1H-quinolin-2-one

Systemtic Name: 6-bromanyl-4-phenyl-3-[(3S)-3-phenyl-2-(2-piperidin-1-ium-1-ylethanoyl)-1,3-dihydropyrazol-5-yl]-1H-quinolin-2-one Openeye Name: 6-bromo-4-phenyl-3-[(3S)-3-phenyl-2-(2-piperidin-1-ium-1-ylacetyl)-1,3-dihydropyrazol-5-yl]-1H-quinolin-2-one CAS Name: 6-bromo-3-[(3S)-2-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-3-phenyl-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-bromo-4-phenyl-3-[(3S)-3-phenyl-2-(2-piperidin-1-ium-1-ylacetyl)-1,3-dihydropyrazol-5-yl]-1H-quinolin-2-one Traditional Name: 6-bromo-4-phenyl-3-[(5S)-5-phenyl-1-(2-piperidin-1-ium-1-ylacetyl)-3-pyrazolin-3-yl]carbostyril Formula: C31H30BrN4O2+ MolecularWeight: 570.4995

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2C(C=C(N2)C3=C(C4=C(C=CC(=C4)Br)NC3=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2[C@@H](C=C(N2)C3=C(C4=C(C=CC(=C4)Br)NC3=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H29BrN4O2/c32-23-14-15-25-24(18-23)29(22-12-6-2-7-13-22)30(31(38)33-25)26-19-27(21-10-4-1-5-11-21)36(34-26)28(37)20-35-16-8-3-9-17-35/h1-2,4-7,10-15,18-19,27,34H,3,8-9,16-17,20H2,(H,33,38)/p+1/t27-/m0/s1