3-[3-(2-methylpropyl)-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl]propylazanium

Systemtic Name: 3-[3-(2-methylpropyl)-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl]propylazanium Openeye Name: 3-(3-isobutyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)propylammonium CAS Name: 3-[3-(2-methylpropyl)-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl]propylammonium IUPAC Name: 3-[3-(2-methylpropyl)-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl]propylazanium Traditional Name: 3-(3-isobutyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)propylammonium Formula: C16H23N3S+2 MolecularWeight: 289.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2[N+](=C(N1)CCC[NH3+])C3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC1=C2[N+](=C(N1)CCC[NH3+])C3=CC=CC=C3S2

InChI

InChI=1S/C16H21N3S/c1-11(2)10-12-16-19(15(18-12)8-5-9-17)13-6-3-4-7-14(13)20-16/h3-4,6-7,11H,5,8-10,17H2,1-2H3/p+2