2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-indan-5-ylsulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(indan-5-ylthio)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C22H33N2O2S+ MolecularWeight: 389.57462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=CC3=C(CCC3)C=C2)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=CC3=C(CCC3)C=C2)[NH+]4CCOCC4

InChI

InChI=1S/C22H32N2O2S/c25-21(16-27-20-8-7-18-5-4-6-19(18)15-20)23-17-22(9-2-1-3-10-22)24-11-13-26-14-12-24/h7-8,15H,1-6,9-14,16-17H2,(H,23,25)/p+1