1-(7-bromanyl-1,3-benzothiazol-2-yl)-N-(2-chloroethyl)-1-oxidanidyl-3-prop-2-ynyl-imidazolidin-1-ium-2-amine

Systemtic Name: 1-(7-bromanyl-1,3-benzothiazol-2-yl)-N-(2-chloroethyl)-1-oxidanidyl-3-prop-2-ynyl-imidazolidin-1-ium-2-amine Openeye Name: 1-(7-bromo-1,3-benzothiazol-2-yl)-N-(2-chloroethyl)-1-oxido-3-prop-2-ynyl-imidazolidin-1-ium-2-amine CAS Name: 1-(7-bromo-1,3-benzothiazol-2-yl)-N-(2-chloroethyl)-1-oxido-3-prop-2-ynyl-2-imidazolidin-1-iumamine IUPAC Name: 1-(7-bromo-1,3-benzothiazol-2-yl)-N-(2-chloroethyl)-1-oxido-3-prop-2-ynylimidazolidin-1-ium-2-amine Traditional Name: [1-(7-bromo-1,3-benzothiazol-2-yl)-1-oxido-3-propargyl-imidazolidin-1-ium-2-yl]-(2-chloroethyl)amine Formula: C15H16BrClN4OS MolecularWeight: 415.73574

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC[N+](C1NCCCl)(C2=NC3=C(S2)C(=CC=C3)Br)[O-]

Isomeric SMILES

C#CCN1CC[N+](C1NCCCl)(C2=NC3=C(S2)C(=CC=C3)Br)[O-]

InChI

InChI=1S/C15H16BrClN4OS/c1-2-8-20-9-10-21(22,14(20)18-7-6-17)15-19-12-5-3-4-11(16)13(12)23-15/h1,3-5,14,18H,6-10H2