2-(1,3-benzodioxol-5-yl)-4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(piperidin-1-ium-1-ylmethyl)thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(1-piperidin-1-iumylmethyl)thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(piperidin-1-ium-1-ylmethyl)thiazole Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H18N2O2S/c1-2-6-18(7-3-1)9-13-10-21-16(17-13)12-4-5-14-15(8-12)20-11-19-14/h4-5,8,10H,1-3,6-7,9,11H2/p+1