2-(azepan-1-ium-1-yl)-N-(6-bromanyl-1,3-benzothiazol-2-yl)ethanimidate

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(6-bromanyl-1,3-benzothiazol-2-yl)ethanimidate Openeye Name: 2-(azepan-1-ium-1-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)ethanimidate CAS Name: 2-(1-azepan-1-iumyl)-N-(6-bromo-1,3-benzothiazol-2-yl)ethanimidate IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)ethanimidate Traditional Name: 2-(azepan-1-ium-1-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)acetimidate Formula: C15H18BrN3OS MolecularWeight: 368.29192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=NC2=NC3=C(S2)C=C(C=C3)Br)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=NC2=NC3=C(S2)C=C(C=C3)Br)[O-]

InChI

InChI=1S/C15H18BrN3OS/c16-11-5-6-12-13(9-11)21-15(17-12)18-14(20)10-19-7-3-1-2-4-8-19/h5-6,9H,1-4,7-8,10H2,(H,17,18,20)