N-(6-azanyl-1,3-benzothiazol-2-yl)-2-(azepan-1-ium-1-yl)ethanamide

Systemtic Name: N-(6-azanyl-1,3-benzothiazol-2-yl)-2-(azepan-1-ium-1-yl)ethanamide Openeye Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-(azepan-1-ium-1-yl)acetamide CAS Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-(1-azepan-1-iumyl)acetamide IUPAC Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-(azepan-1-ium-1-yl)acetamide Traditional Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-(azepan-1-ium-1-yl)acetamide Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4OS/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,1-4,7-8,10,16H2,(H,17,18,20)/p+1