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

Systemtic Name: (1S)-1-(3-methyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethanamine Openeye Name: (1S)-1-(3-methyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethanamine CAS Name: (1S)-1-(3-methyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethanamine IUPAC Name: (1S)-1-(3-methyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethanamine Traditional Name: [(1S)-1-(3-methyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)ethyl]amine Formula: C12H14N3S+ MolecularWeight: 232.32466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2[N+](=C(N1)C(C)N)C3=CC=CC=C3S2

Isomeric SMILES

CC1=C2[N+](=C(N1)[C@H](C)N)C3=CC=CC=C3S2

InChI

InChI=1S/C12H13N3S/c1-7(13)11-14-8(2)12-15(11)9-5-3-4-6-10(9)16-12/h3-7H,13H2,1-2H3/p+1/t7-/m0/s1