2-(1,3-benzothiazol-2-yl)ethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]azanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]ammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]azanium Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S,5R)-3,3,5-trimethylcyclohexyl]ammonium Formula: C18H27N2S+ MolecularWeight: 303.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)[NH2+]CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2S/c1-13-10-14(12-18(2,3)11-13)19-9-8-17-20-15-6-4-5-7-16(15)21-17/h4-7,13-14,19H,8-12H2,1-3H3/p+1/t13-,14-/m0/s1