4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium

Systemtic Name: 4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Openeye Name: 4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium CAS Name: 4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]thiomorpholin-4-ium IUPAC Name: 4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Traditional Name: 4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Formula: C20H28N4O2S+2 MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCSCC2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCSCC2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H26N4O2S/c1-2-18-19(26-14-25-18)11-15(1)20-16(12-21-22-20)13-23-5-3-17(4-6-23)24-7-9-27-10-8-24/h1-2,11-12,17H,3-10,13-14H2,(H,21,22)/p+2