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

Systemtic Name: (1S)-2-methyl-1-(3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)propan-1-amine Openeye Name: (1S)-1-(3-isopropyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)-2-methyl-propan-1-amine CAS Name: (1S)-2-methyl-1-(3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)-1-propanamine IUPAC Name: (1S)-2-methyl-1-(3-propan-2-yl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)propan-1-amine Traditional Name: [(1S)-1-(3-isopropyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)-2-methyl-propyl]amine Formula: C16H22N3S+ MolecularWeight: 288.43098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3S/c1-9(2)13(17)15-18-14(10(3)4)16-19(15)11-7-5-6-8-12(11)20-16/h5-10,13H,17H2,1-4H3/p+1/t13-/m0/s1