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

Systemtic Name: [2-[(1-methylpiperidin-1-ium-1-yl)methyl]naphthalen-1-yl] 4-bromanylbenzoate Openeye Name: [2-[(1-methylpiperidin-1-ium-1-yl)methyl]-1-naphthyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(1-methyl-1-piperidin-1-iumyl)methyl]-1-naphthalenyl] ester IUPAC Name: [2-[(1-methylpiperidin-1-ium-1-yl)methyl]naphthalen-1-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[(1-methylpiperidin-1-ium-1-yl)methyl]-1-naphthyl] ester Formula: C24H25BrNO2+ MolecularWeight: 439.3648

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2=C(C3=CC=CC=C3C=C2)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C[N+]1(CCCCC1)CC2=C(C3=CC=CC=C3C=C2)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H25BrNO2/c1-26(15-5-2-6-16-26)17-20-10-9-18-7-3-4-8-22(18)23(20)28-24(27)19-11-13-21(25)14-12-19/h3-4,7-14H,2,5-6,15-17H2,1H3/q+1