2-(1,3-benzothiazol-2-yl)ethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium Formula: C17H25N2S+ MolecularWeight: 289.4588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1[NH2+]CCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

C[C@H]1CCC[C@@H](C1[NH2+]CCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C17H24N2S/c1-12-6-5-7-13(2)17(12)18-11-10-16-19-14-8-3-4-9-15(14)20-16/h3-4,8-9,12-13,17-18H,5-7,10-11H2,1-2H3/p+1/t12-,13-/m0/s1