ethyl N-[2-(6-ethoxyisoquinolin-2-ium-2-yl)ethyl]carbamate bromide

Systemtic Name: ethyl N-[2-(6-ethoxyisoquinolin-2-ium-2-yl)ethyl]carbamate bromide Openeye Name: ethyl N-[2-(6-ethoxyisoquinolin-2-ium-2-yl)ethyl]carbamate bromide CAS Name: N-[2-(6-ethoxy-2-isoquinolin-2-iumyl)ethyl]carbamic acid ethyl ester bromide IUPAC Name: ethyl N-[2-(6-ethoxyisoquinolin-2-ium-2-yl)ethyl]carbamate bromide Traditional Name: N-[2-(6-ethoxyisoquinolin-2-ium-2-yl)ethyl]carbamic acid ethyl ester bromide Formula: C16H21BrN2O3 MolecularWeight: 369.25354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=[N+](C=C2)CCNC(=O)OCC.[Br-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=[N+](C=C2)CCNC(=O)OCC.[Br-]

InChI

InChI=1S/C16H20N2O3.BrH/c1-3-20-15-6-5-14-12-18(9-7-13(14)11-15)10-8-17-16(19)21-4-2;/h5-7,9,11-12H,3-4,8,10H2,1-2H3;1H