1-(1,4-diazepan-4-ium-1-yl)-2-thiophen-2-yl-ethanone

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-thiophen-2-yl-ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(2-thienyl)ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-thiophen-2-ylethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-thiophen-2-ylethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(2-thienyl)ethanone Formula: C11H17N2OS+ MolecularWeight: 225.33048

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CC2=CC=CS2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CC2=CC=CS2

InChI

InChI=1S/C11H16N2OS/c14-11(9-10-3-1-8-15-10)13-6-2-4-12-5-7-13/h1,3,8,12H,2,4-7,9H2/p+1