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

Systemtic Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol Openeye Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(p-tolyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol CAS Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol IUPAC Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol Traditional Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(p-tolyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC([N+]3=C2CCCC3)(C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@]([N+]3=C2CCCC3)(C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C22H25N2O3/c1-16-5-8-18(9-6-16)23-15-22(25,24-11-3-2-4-21(23)24)17-7-10-19-20(14-17)27-13-12-26-19/h5-10,14,25H,2-4,11-13,15H2,1H3/q+1/t22-/m1/s1