2-isoquinolin-1-ylsulfanyl-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(1-isoquinolylsulfanyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(1-isoquinolinylthio)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-isoquinolin-1-ylsulfanyl-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(1-isoquinolylthio)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)CSC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)CSC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H21N3O2S/c21-16(18-7-8-20-9-11-22-12-10-20)13-23-17-15-4-2-1-3-14(15)5-6-19-17/h1-6H,7-13H2,(H,18,21)/p+1