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

Systemtic Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cycloheptyl-azanium Openeye Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cycloheptyl-ammonium CAS Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cycloheptylammonium IUPAC Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cycloheptylazanium Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-cycloheptyl-ammonium Formula: C16H23N2S+ MolecularWeight: 275.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH2+]C3CCCCCC3

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)[NH2+]C3CCCCCC3

InChI

InChI=1S/C16H22N2S/c1-12(17-13-8-4-2-3-5-9-13)16-18-14-10-6-7-11-15(14)19-16/h6-7,10-13,17H,2-5,8-9H2,1H3/p+1/t12-/m0/s1