[1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-yl] 4-bromanylbenzoate

Systemtic Name: [1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-yl] 4-bromanylbenzoate Openeye Name: [1-(morpholin-4-ium-4-ylmethyl)-2-naphthyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [1-(4-morpholin-4-iumylmethyl)-2-naphthalenyl] ester IUPAC Name: [1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [1-(morpholin-4-ium-4-ylmethyl)-2-naphthyl] ester Formula: C22H21BrNO3+ MolecularWeight: 427.31104

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H20BrNO3/c23-18-8-5-17(6-9-18)22(25)27-21-10-7-16-3-1-2-4-19(16)20(21)15-24-11-13-26-14-12-24/h1-10H,11-15H2/p+1