[3-[(5R)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-bromophenyl)pyrazolidin-1-yl]-3-oxidanylidene-propyl]-diethyl-azanium

Systemtic Name: [3-[(5R)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-bromophenyl)pyrazolidin-1-yl]-3-oxidanylidene-propyl]-diethyl-azanium Openeye Name: [3-[(5R)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(4-bromophenyl)pyrazolidin-1-yl]-3-oxo-propyl]-diethyl-ammonium CAS Name: [3-[(5R)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(4-bromophenyl)-1-pyrazolidinyl]-3-oxopropyl]-diethylammonium IUPAC Name: [3-[(5R)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(4-bromophenyl)pyrazolidin-1-yl]-3-oxopropyl]-diethylazanium Traditional Name: [3-[(5R)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(4-bromophenyl)pyrazolidin-1-yl]-3-keto-propyl]-diethyl-ammonium Formula: C31H31Br2N4O2+ MolecularWeight: 651.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(=O)N1C(CC(=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)N1)C5=CC=C(C=C5)Br

Isomeric SMILES

CC[NH+](CC)CCC(=O)N1[C@H](CC(=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)N1)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H30Br2N4O2/c1-3-36(4-2)17-16-28(38)37-27(20-10-12-22(32)13-11-20)19-26(35-37)30-29(21-8-6-5-7-9-21)24-18-23(33)14-15-25(24)34-31(30)39/h5-15,18,27,35H,3-4,16-17,19H2,1-2H3/p+1/t27-/m1/s1