2-(azepan-1-ium-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-3-thienylmethyleneamino]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(Z)-3-thiophenylmethylideneamino]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-3-thenylideneamino]acetamide Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NN=CC2=CSC=C2

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N/N=C\C2=CSC=C2

InChI

InChI=1S/C13H19N3OS/c17-13(10-16-6-3-1-2-4-7-16)15-14-9-12-5-8-18-11-12/h5,8-9,11H,1-4,6-7,10H2,(H,15,17)/p+1/b14-9-