2-(1,3-benzodioxol-5-yl)-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazole Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N2O2S/c1-12-3-2-6-19(8-12)9-14-10-22-17(18-14)13-4-5-15-16(7-13)21-11-20-15/h4-5,7,10,12H,2-3,6,8-9,11H2,1H3/p+1/t12-/m0/s1