(10bS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-propan-2-yl-spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium]

Systemtic Name: (10bS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-propan-2-yl-spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium] Openeye Name: (10bS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-isopropyl-spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium] CAS Name: (10bS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-propan-2-ylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium] IUPAC Name: (10bS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-propan-2-ylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium] Traditional Name: (10bS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-isopropyl-spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium] Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2(CC1)N3C(C=C(N3)C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6O2

Isomeric SMILES

CC(C)[NH+]1CCC2(CC1)N3[C@@H](C=C(N3)C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6O2

InChI

InChI=1S/C25H29N3O3/c1-17(2)27-11-9-25(10-12-27)28-21(19-5-3-4-6-22(19)31-25)16-20(26-28)18-7-8-23-24(15-18)30-14-13-29-23/h3-8,15-17,21,26H,9-14H2,1-2H3/p+1/t21-/m0/s1