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

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-indan-5-ylsulfanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(indan-5-ylthio)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]acetamide Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C23H28N2O2S/c26-23(17-28-22-9-8-18-6-3-7-19(18)14-22)24-15-20-4-1-2-5-21(20)16-25-10-12-27-13-11-25/h1-2,4-5,8-9,14H,3,6-7,10-13,15-17H2,(H,24,26)/p+1