2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide

Systemtic Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Openeye Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide CAS Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Traditional Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Formula: C43H48BN MolecularWeight: 589.65892

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1CCC(C(C1)[N+]2=CC3=CC=CC=C3CC2)C(C)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[C@H]1CC[C@@H]([C@H](C1)[N+]2=CC3=CC=CC=C3CC2)C(C)C

InChI

InChI=1S/C24H20B.C19H28N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-14(2)18-9-8-15(3)12-19(18)20-11-10-16-6-4-5-7-17(16)13-20/h1-20H;4-7,13-15,18-19H,8-12H2,1-3H3/q-1;+1/t;15-,18+,19-/m.0/s1