3-(2-isoquinolin-1-ylsulfanylethanoylamino)propyl-dimethyl-azanium

Systemtic Name: 3-(2-isoquinolin-1-ylsulfanylethanoylamino)propyl-dimethyl-azanium Openeye Name: 3-[[2-(1-isoquinolylsulfanyl)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(1-isoquinolinylthio)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-isoquinolin-1-ylsulfanylacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[[2-(1-isoquinolylthio)acetyl]amino]propyl-dimethyl-ammonium Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)CSC1=NC=CC2=CC=CC=C21

Isomeric SMILES

C[NH+](C)CCCNC(=O)CSC1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C16H21N3OS/c1-19(2)11-5-9-17-15(20)12-21-16-14-7-4-3-6-13(14)8-10-18-16/h3-4,6-8,10H,5,9,11-12H2,1-2H3,(H,17,20)/p+1