(3S,10aS)-2-cyclohexyl-3-phenyl-4,5,10,10a-tetrahydro-3H-imidazo[1,5-b]isoquinolin-4-ium-1-one

Systemtic Name: (3S,10aS)-2-cyclohexyl-3-phenyl-4,5,10,10a-tetrahydro-3H-imidazo[1,5-b]isoquinolin-4-ium-1-one Openeye Name: (3S,10aS)-2-cyclohexyl-3-phenyl-4,5,10,10a-tetrahydro-3H-imidazo[1,5-b]isoquinolin-4-ium-1-one CAS Name: (3S,10aS)-2-cyclohexyl-3-phenyl-4,5,10,10a-tetrahydro-3H-imidazo[1,5-b]isoquinolin-4-ium-1-one IUPAC Name: (3S,10aS)-2-cyclohexyl-3-phenyl-4,5,10,10a-tetrahydro-3H-imidazo[1,5-b]isoquinolin-4-ium-1-one Traditional Name: (3S,10aS)-2-cyclohexyl-3-phenyl-4,5,10,10a-tetrahydro-3H-imidaz[1,5-b]isoquinolin-4-ium-1-one Formula: C23H27N2O+ MolecularWeight: 347.47328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C([NH+]3CC4=CC=CC=C4CC3C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2[C@@H]([NH+]3CC4=CC=CC=C4C[C@H]3C2=O)C5=CC=CC=C5

InChI

InChI=1S/C23H26N2O/c26-23-21-15-18-11-7-8-12-19(18)16-24(21)22(17-9-3-1-4-10-17)25(23)20-13-5-2-6-14-20/h1,3-4,7-12,20-22H,2,5-6,13-16H2/p+1/t21-,22+/m0/s1