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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C20H22N4O2S+2 MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C20H20N4O2S/c1-2-6-21-19(3-1)24-9-7-23(8-10-24)12-16-13-27-20(22-16)15-4-5-17-18(11-15)26-14-25-17/h1-6,11,13H,7-10,12,14H2/p+2