1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[(5R)-9-(m-tolylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[(5R)-9-(3-methylbenzyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-2-(4-pyridylthio)ethanone Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCCC3(C2)CCN(C3)C(=O)CSC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC[C@@]3(C2)CCN(C3)C(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C23H29N3OS/c1-19-4-2-5-20(14-19)15-25-12-3-8-23(17-25)9-13-26(18-23)22(27)16-28-21-6-10-24-11-7-21/h2,4-7,10-11,14H,3,8-9,12-13,15-18H2,1H3/p+1/t23-/m0/s1