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

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

Systemtic Name:azepan-1-yl-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone
Openeye Name:azepan-1-yl-[1-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone
CAS Name:1-azepanyl-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-4-piperidin-1-iumyl]methanone
IUPAC Name:azepan-1-yl-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone
Traditional Name:azepan-1-yl-[1-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone
Formula: C20H28N3O2S+
MolecularWeight: 374.52022
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=S


Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=S


InChI

InChI=1S/C20H27N3O2S/c24-19(22-11-5-1-2-6-12-22)16-9-13-21(14-10-16)15-23-17-7-3-4-8-18(17)25-20(23)26/h3-4,7-8,16H,1-2,5-6,9-15H2/p+1


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