[(6S)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylazanium

Systemtic Name: [(6S)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylazanium Openeye Name: [(6S)-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylammonium CAS Name: [(6S)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylammonium IUPAC Name: [(6S)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylazanium Traditional Name: [(6S)-6-tert-amyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylammonium Formula: C13H23N2S+ MolecularWeight: 239.40012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=N2)C[NH3+]

Isomeric SMILES

CCC(C)(C)[C@H]1CCC2=C(C1)SC(=N2)C[NH3+]

InChI

InChI=1S/C13H22N2S/c1-4-13(2,3)9-5-6-10-11(7-9)16-12(8-14)15-10/h9H,4-8,14H2,1-3H3/p+1/t9-/m0/s1