2-(3-isoquinolin-1-yloxypropylamino)ethanethiol; sulfuric acid

Systemtic Name: 2-(3-isoquinolin-1-yloxypropylamino)ethanethiol; sulfuric acid Openeye Name: 2-[3-(1-isoquinolyloxy)propylamino]ethanethiol; sulfuric acid CAS Name: 2-[3-(1-isoquinolinyloxy)propylamino]ethanethiol; sulfuric acid IUPAC Name: 2-(3-isoquinolin-1-yloxypropylamino)ethanethiol; sulfuric acid Traditional Name: 2-[3-(1-isoquinolyloxy)propylamino]ethanethiol; sulfuric acid Formula: C14H20N2O5S2 MolecularWeight: 360.449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2OCCCNCCS.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2OCCCNCCS.OS(=O)(=O)O

InChI

InChI=1S/C14H18N2OS.H2O4S/c18-11-9-15-7-3-10-17-14-13-5-2-1-4-12(13)6-8-16-14;1-5(2,3)4/h1-2,4-6,8,15,18H,3,7,9-11H2;(H2,1,2,3,4)