1-[4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]phenyl]ethanone

Systemtic Name: 1-[4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]phenyl]ethanone Openeye Name: 1-[4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]phenyl]ethanone CAS Name: 1-[4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]phenyl]ethanone IUPAC Name: 1-[4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]phenyl]ethanone Traditional Name: 1-[4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]phenyl]ethanone Formula: C19H21N2O+ MolecularWeight: 293.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=[NH+]C(CC3=CC=CC=C32)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=[NH+]C(CC3=CC=CC=C32)(C)C

InChI

InChI=1S/C19H20N2O/c1-13(22)14-8-10-16(11-9-14)20-18-17-7-5-4-6-15(17)12-19(2,3)21-18/h4-11H,12H2,1-3H3,(H,20,21)/p+1