(E)-1-(1,4-diazepan-4-ium-1-yl)-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(2-thienyl)prop-2-en-1-one Formula: C12H17N2OS+ MolecularWeight: 237.34118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C12H16N2OS/c15-12(5-4-11-3-1-10-16-11)14-8-2-6-13-7-9-14/h1,3-5,10,13H,2,6-9H2/p+1/b5-4+