7-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCO2)NCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C19H21N3O3S/c1-12(2)18(13-3-4-15-16(9-13)25-7-6-24-15)20-11-14-10-17(23)22-5-8-26-19(22)21-14/h3-5,8-10,12,18,20H,6-7,11H2,1-2H3/p+1/t18-/m0/s1