[2-[(4-methylmorpholin-4-ium-4-yl)methyl]naphthalen-1-yl] 4-bromanylbenzoate

Systemtic Name: [2-[(4-methylmorpholin-4-ium-4-yl)methyl]naphthalen-1-yl] 4-bromanylbenzoate Openeye Name: [2-[(4-methylmorpholin-4-ium-4-yl)methyl]-1-naphthyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(4-methyl-4-morpholin-4-iumyl)methyl]-1-naphthalenyl] ester IUPAC Name: [2-[(4-methylmorpholin-4-ium-4-yl)methyl]naphthalen-1-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[(4-methylmorpholin-4-ium-4-yl)methyl]-1-naphthyl] ester Formula: C23H23BrNO3+ MolecularWeight: 441.33762

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC2=C(C3=CC=CC=C3C=C2)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C[N+]1(CCOCC1)CC2=C(C3=CC=CC=C3C=C2)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrNO3/c1-25(12-14-27-15-13-25)16-19-7-6-17-4-2-3-5-21(17)22(19)28-23(26)18-8-10-20(24)11-9-18/h2-11H,12-16H2,1H3/q+1