(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol

Systemtic Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol Openeye Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(o-tolyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol CAS Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol IUPAC Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol Traditional Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(o-tolyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC([N+]3=C2SCCC3)(C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

CC1=CC=CC=C1N2C[C@]([N+]3=C2SCCC3)(C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C21H23N2O3S/c1-15-5-2-3-6-17(15)22-14-21(24,23-9-4-12-27-20(22)23)16-7-8-18-19(13-16)26-11-10-25-18/h2-3,5-8,13,24H,4,9-12,14H2,1H3/q+1/t21-/m1/s1