1-[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[(5R)-9-(cyclohexylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-(2-pyridylthio)ethanone Formula: C22H34N3OS+ MolecularWeight: 388.58986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC3(C2)CCN(C3)C(=O)CSC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@]3(C2)CCN(C3)C(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C22H33N3OS/c26-21(16-27-20-9-4-5-12-23-20)25-14-11-22(18-25)10-6-13-24(17-22)15-19-7-2-1-3-8-19/h4-5,9,12,19H,1-3,6-8,10-11,13-18H2/p+1/t22-/m0/s1