2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C22H23N2O4S+ MolecularWeight: 411.49402

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CN4C5=CC=CC=C5OC4=S

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CN4C5=CC=CC=C5OC4=S

InChI

InChI=1S/C22H22N2O4S/c25-21(16-5-6-19-20(13-16)27-12-11-26-19)15-7-9-23(10-8-15)14-24-17-3-1-2-4-18(17)28-22(24)29/h1-6,13,15H,7-12,14H2/p+1