2-(piperidin-1-ium-1-ylmethyl)-4-[4-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)-4-[4-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)-4-[4-(piperidin-1-ium-1-ylmethyl)-5-thioxo-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2-(1-piperidin-1-iumylmethyl)-4-[4-(1-piperidin-1-iumylmethyl)-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)-4-[4-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)-4-[4-(piperidin-1-ium-1-ylmethyl)-5-thioxo-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H30N4O2S+2 MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=C3NN(C(=S)O3)C[NH+]4CCCCC4)C=CC2=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=C3NN(C(=S)O3)C[NH+]4CCCCC4)C=CC2=O

InChI

InChI=1S/C20H28N4O2S/c25-18-8-7-16(13-17(18)14-22-9-3-1-4-10-22)19-21-24(20(27)26-19)15-23-11-5-2-6-12-23/h7-8,13,21H,1-6,9-12,14-15H2/p+2