[(cyclohexylamino)-methylsulfanyl-methylidene]-[2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl]azanium

Systemtic Name: [(cyclohexylamino)-methylsulfanyl-methylidene]-[2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl]azanium Openeye Name: [(cyclohexylamino)-methylsulfanyl-methylene]-[2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl]ammonium CAS Name: [(cyclohexylamino)-(methylthio)methylidene]-[2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl]ammonium IUPAC Name: [(cyclohexylamino)-methylsulfanylmethylidene]-[2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl]azanium Traditional Name: 2-(2-carbethoxy-5-methyl-1H-indol-3-yl)ethyl-[(cyclohexylamino)-(methylthio)methylene]ammonium Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)CC[NH+]=C(NC3CCCCC3)SC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)CC[NH+]=C(NC3CCCCC3)SC

InChI

InChI=1S/C22H31N3O2S/c1-4-27-21(26)20-17(18-14-15(2)10-11-19(18)25-20)12-13-23-22(28-3)24-16-8-6-5-7-9-16/h10-11,14,16,25H,4-9,12-13H2,1-3H3,(H,23,24)/p+1