(3S,9bR)-1-cyclohexyl-3-propan-2-yl-1,2,3,9b-tetrahydroimidazo[1,2-b]isoindol-1-ium-5-one

Systemtic Name: (3S,9bR)-1-cyclohexyl-3-propan-2-yl-1,2,3,9b-tetrahydroimidazo[1,2-b]isoindol-1-ium-5-one Openeye Name: (3S,9bR)-1-cyclohexyl-3-isopropyl-1,2,3,9b-tetrahydroimidazo[1,2-b]isoindol-1-ium-5-one CAS Name: (3S,9bR)-1-cyclohexyl-3-propan-2-yl-1,2,3,9b-tetrahydroimidazo[1,2-b]isoindol-1-ium-5-one IUPAC Name: (3S,9bR)-1-cyclohexyl-3-propan-2-yl-1,2,3,9b-tetrahydroimidazo[1,2-b]isoindol-1-ium-5-one Traditional Name: (3S,9bR)-1-cyclohexyl-3-isopropyl-1,2,3,9b-tetrahydroimidaz[1,2-b]isoindol-1-ium-5-one Formula: C19H27N2O+ MolecularWeight: 299.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C[NH+](C2N1C(=O)C3=CC=CC=C23)C4CCCCC4

Isomeric SMILES

CC(C)[C@H]1C[NH+]([C@H]2N1C(=O)C3=CC=CC=C23)C4CCCCC4

InChI

InChI=1S/C19H26N2O/c1-13(2)17-12-20(14-8-4-3-5-9-14)18-15-10-6-7-11-16(15)19(22)21(17)18/h6-7,10-11,13-14,17-18H,3-5,8-9,12H2,1-2H3/p+1/t17-,18+/m1/s1