2-[(1R,2R)-2-phenylcyclohexyl]-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 2-[(1R,2R)-2-phenylcyclohexyl]-3,4-dihydroisoquinolin-2-ium Openeye Name: 2-[(1R,2R)-2-phenylcyclohexyl]-3,4-dihydroisoquinolin-2-ium CAS Name: 2-[(1R,2R)-2-phenylcyclohexyl]-3,4-dihydroisoquinolin-2-ium IUPAC Name: 2-[(1R,2R)-2-phenylcyclohexyl]-3,4-dihydroisoquinolin-2-ium Traditional Name: 2-[(1R,2R)-2-phenylcyclohexyl]-3,4-dihydroisoquinolin-2-ium Formula: C21H24N+ MolecularWeight: 290.42196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4CC3

Isomeric SMILES

C1CC[C@H]([C@H](C1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4CC3

InChI

InChI=1S/C21H24N/c1-2-9-18(10-3-1)20-12-6-7-13-21(20)22-15-14-17-8-4-5-11-19(17)16-22/h1-5,8-11,16,20-21H,6-7,12-15H2/q+1/t20-,21-/m1/s1