(3S)-1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol

Systemtic Name: (3S)-1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol Openeye Name: (3S)-1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol CAS Name: (3S)-1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol IUPAC Name: (3S)-1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol Traditional Name: (3S)-1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2=C(C1)N(CC2(C3=CC4=C(C=C3)OCCO4)O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC[N+]2=C(C1)N(C[C@]2(C3=CC4=C(C=C3)OCCO4)O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H22ClN2O3/c22-16-5-7-17(8-6-16)23-14-21(25,24-10-2-1-3-20(23)24)15-4-9-18-19(13-15)27-12-11-26-18/h4-9,13,25H,1-3,10-12,14H2/q+1/t21-/m1/s1