1,3-benzothiazol-2-ylmethyl(2,6-dimethylheptan-4-yl)azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl(2,6-dimethylheptan-4-yl)azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-(1-isobutyl-3-methyl-butyl)ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl(2,6-dimethylheptan-4-yl)ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl(2,6-dimethylheptan-4-yl)azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-(1-isobutyl-3-methyl-butyl)ammonium Formula: C17H27N2S+ MolecularWeight: 291.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)[NH2+]CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CC(CC(C)C)[NH2+]CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H26N2S/c1-12(2)9-14(10-13(3)4)18-11-17-19-15-7-5-6-8-16(15)20-17/h5-8,12-14,18H,9-11H2,1-4H3/p+1