[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cyclooctyl-azanium

Systemtic Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cyclooctyl-azanium Openeye Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cyclooctyl-ammonium CAS Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cyclooctylammonium IUPAC Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cyclooctylazanium Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cyclooctyl-ammonium Formula: C17H25N2S+ MolecularWeight: 289.4588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH2+]C3CCCCCCC3

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)[NH2+]C3CCCCCCC3

InChI

InChI=1S/C17H24N2S/c1-13(18-14-9-5-3-2-4-6-10-14)17-19-15-11-7-8-12-16(15)20-17/h7-8,11-14,18H,2-6,9-10H2,1H3/p+1/t13-/m0/s1