methyl 2-(2-methyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)-2-phenyl-ethanoate tetrafluoroborate

Systemtic Name: methyl 2-(2-methyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)-2-phenyl-ethanoate tetrafluoroborate Openeye Name: methyl 2-(2-methyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)-2-phenyl-acetate tetrafluoroborate CAS Name: 2-(2-methyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)-2-phenylacetic acid methyl ester tetrafluoroborate IUPAC Name: methyl 2-(2-methyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)-2-phenylacetate tetrafluoroborate Traditional Name: 2-(2-methyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)-2-phenyl-acetic acid methyl ester tetrafluoroborate Formula: C29H26BF4NO2 MolecularWeight: 507.326853

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=[N+](C2=C(CCC3=CC=CC=C32)C(=C1)C4=CC=CC=C4)C(C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

[B-](F)(F)(F)F.CC1=[N+](C2=C(CCC3=CC=CC=C32)C(=C1)C4=CC=CC=C4)C(C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C29H26NO2.BF4/c1-20-19-26(21-11-5-3-6-12-21)25-18-17-22-13-9-10-16-24(22)28(25)30(20)27(29(31)32-2)23-14-7-4-8-15-23;2-1(3,4)5/h3-16,19,27H,17-18H2,1-2H3;/q+1;-1