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

Systemtic Name: ethyl N-[2-(6-ethoxyisoquinolin-2-ium-2-yl)ethyl]carbamate Openeye Name: ethyl N-[2-(6-ethoxyisoquinolin-2-ium-2-yl)ethyl]carbamate CAS Name: N-[2-(6-ethoxy-2-isoquinolin-2-iumyl)ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(6-ethoxyisoquinolin-2-ium-2-yl)ethyl]carbamate Traditional Name: N-[2-(6-ethoxyisoquinolin-2-ium-2-yl)ethyl]carbamic acid ethyl ester Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/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/p+1