2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide Openeye Name: 2-indan-5-ylsulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]acetamide CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)-N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide Traditional Name: 2-(indan-5-ylthio)-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]acetamide Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)CSC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[NH+]2CCOCC2)NC(=O)CSC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C24H30N2O2S/c1-18-5-7-20(8-6-18)23(16-26-11-13-28-14-12-26)25-24(27)17-29-22-10-9-19-3-2-4-21(19)15-22/h5-10,15,23H,2-4,11-14,16-17H2,1H3,(H,25,27)/p+1/t23-/m1/s1