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

Systemtic Name: [3-(2-methylpropyl)-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl]methylazanium Openeye Name: (3-isobutyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)methylammonium CAS Name: [3-(2-methylpropyl)-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl]methylammonium IUPAC Name: [3-(2-methylpropyl)-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl]methylazanium Traditional Name: (3-isobutyl-2H-imidazo[5,1-b][1,3]benzothiazol-9-ium-1-yl)methylammonium Formula: C14H19N3S+2 MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3S/c1-9(2)7-10-14-17(13(8-15)16-10)11-5-3-4-6-12(11)18-14/h3-6,9H,7-8,15H2,1-2H3/p+2