(1S)-1-(3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethanamine

Systemtic Name: (1S)-1-(3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethanamine Openeye Name: (1S)-1-(3-isopropyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethanamine CAS Name: (1S)-1-(3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethanamine IUPAC Name: (1S)-1-(3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethanamine Traditional Name: [(1S)-1-(3-isopropyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethyl]amine Formula: C14H18N3S+ MolecularWeight: 260.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2[N+](=C(N1)C(C)N)C3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C1=[N+]2C3=CC=CC=C3SC2=C(N1)C(C)C)N

InChI

InChI=1S/C14H17N3S/c1-8(2)12-14-17(13(16-12)9(3)15)10-6-4-5-7-11(10)18-14/h4-9H,15H2,1-3H3/p+1/t9-/m0/s1