[(1R)-2-[(1-chloranylisoquinolin-2-ium-3-yl)amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(1-chloranylisoquinolin-2-ium-3-yl)amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(1-chloroisoquinolin-2-ium-3-yl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[(1-chloro-3-isoquinolin-2-iumyl)amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(1-chloroisoquinolin-2-ium-3-yl)amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[(1-chloroisoquinolin-2-ium-3-yl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C17H20ClN3S+2 MolecularWeight: 333.8788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=CC2=CC=CC=C2C(=[NH+]1)Cl)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC1=CC2=CC=CC=C2C(=[NH+]1)Cl)C3=CC=CS3

InChI

InChI=1S/C17H18ClN3S/c1-21(2)14(15-8-5-9-22-15)11-19-16-10-12-6-3-4-7-13(12)17(18)20-16/h3-10,14H,11H2,1-2H3,(H,19,20)/p+2/t14-/m1/s1