(1S,5R)-1,5-dimethyl-9-oxidanylidene-N-phenyl-7-(phenylmethyl)-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide

Systemtic Name: (1S,5R)-1,5-dimethyl-9-oxidanylidene-N-phenyl-7-(phenylmethyl)-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide Openeye Name: (1S,5R)-7-benzyl-1,5-dimethyl-9-oxo-N-phenyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide CAS Name: (1S,5R)-1,5-dimethyl-9-oxo-N-phenyl-7-(phenylmethyl)-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide IUPAC Name: (1S,5R)-7-benzyl-1,5-dimethyl-9-oxo-N-phenyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide Traditional Name: (1S,5R)-7-benzyl-9-keto-1,5-dimethyl-N-phenyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carbothioamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC12C[NH+](CC(C1=O)(CN(C2)C(=S)NC3=CC=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

C[C@]12C[NH+](C[C@](C1=O)(CN(C2)C(=S)NC3=CC=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS/c1-22-14-25(13-18-9-5-3-6-10-18)15-23(2,20(22)27)17-26(16-22)21(28)24-19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3,(H,24,28)/p+1/t22-,23+