[5-bromanyl-6-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)oxy-naphthalen-2-yl]methylazanium

Systemtic Name: [5-bromanyl-6-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)oxy-naphthalen-2-yl]methylazanium Openeye Name: [6-(1-benzyl-2-methoxy-2-oxo-ethoxy)-5-bromo-2-naphthyl]methylammonium CAS Name: [5-bromo-6-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-2-naphthalenyl]methylammonium IUPAC Name: [5-bromo-6-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxynaphthalen-2-yl]methylazanium Traditional Name: [6-(1-benzyl-2-keto-2-methoxy-ethoxy)-5-bromo-2-naphthyl]methylammonium Formula: C21H21BrNO3+ MolecularWeight: 415.30034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)OC2=C(C3=C(C=C2)C=C(C=C3)C[NH3+])Br

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)OC2=C(C3=C(C=C2)C=C(C=C3)C[NH3+])Br

InChI

InChI=1S/C21H20BrNO3/c1-25-21(24)19(12-14-5-3-2-4-6-14)26-18-10-8-16-11-15(13-23)7-9-17(16)20(18)22/h2-11,19H,12-13,23H2,1H3/p+1