2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C21H23N2O2S+ MolecularWeight: 367.48452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4COC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)C[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C21H22N2O2S/c1-4-8-20-17(5-1)22-21(26-20)15-9-11-23(12-10-15)13-16-14-24-18-6-2-3-7-19(18)25-16/h1-8,15-16H,9-14H2/p+1/t16-/m0/s1