(3S,9bR)-9b-methyl-1-(phenylmethyl)-3-propan-2-yl-2,3-dihydro-1H-imidazo[2,1-a]isoindol-1-ium-5-one

Systemtic Name: (3S,9bR)-9b-methyl-1-(phenylmethyl)-3-propan-2-yl-2,3-dihydro-1H-imidazo[2,1-a]isoindol-1-ium-5-one Openeye Name: (3S,9bR)-1-benzyl-3-isopropyl-9b-methyl-2,3-dihydro-1H-imidazo[2,1-a]isoindol-1-ium-5-one CAS Name: (3S,9bR)-9b-methyl-1-(phenylmethyl)-3-propan-2-yl-2,3-dihydro-1H-imidazo[2,1-a]isoindol-1-ium-5-one IUPAC Name: (3S,9bR)-1-benzyl-9b-methyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[2,1-a]isoindol-1-ium-5-one Traditional Name: (3S,9bR)-1-benzyl-3-isopropyl-9b-methyl-2,3-dihydro-1H-imidaz[2,1-a]isoindol-1-ium-5-one Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C[NH+](C2(N1C(=O)C3=CC=CC=C32)C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@H]1C[NH+]([C@]2(N1C(=O)C3=CC=CC=C32)C)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O/c1-15(2)19-14-22(13-16-9-5-4-6-10-16)21(3)18-12-8-7-11-17(18)20(24)23(19)21/h4-12,15,19H,13-14H2,1-3H3/p+1/t19-,21+/m1/s1