(1S,5R)-1,5,7-trimethyl-N-phenyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide

Systemtic Name: (1S,5R)-1,5,7-trimethyl-N-phenyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide Openeye Name: (1S,5R)-1,5,7-trimethyl-N-phenyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide CAS Name: (1S,5R)-1,5,7-trimethyl-N-phenyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide IUPAC Name: (1S,5R)-1,5,7-trimethyl-N-phenyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide Traditional Name: (1S,5R)-1,5,7-trimethyl-N-phenyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide Formula: C17H26N3S+ MolecularWeight: 304.47344

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C[NH+](C1)C)(CN(C2)C(=S)NC3=CC=CC=C3)C

Isomeric SMILES

C[C@@]12C[C@@](C[NH+](C1)C)(CN(C2)C(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C17H25N3S/c1-16-9-17(2,11-19(3)10-16)13-20(12-16)15(21)18-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,21)/p+1/t16-,17+