propan-2-yl 2-[3-[1-(4-bromophenyl)carbonyl-3,6-dihydro-2H-pyridin-1-ium-1-yl]phenoxy]-2-methyl-propanoate

Systemtic Name: propan-2-yl 2-[3-[1-(4-bromophenyl)carbonyl-3,6-dihydro-2H-pyridin-1-ium-1-yl]phenoxy]-2-methyl-propanoate Openeye Name: isopropyl 2-[3-[1-(4-bromobenzoyl)-3,6-dihydro-2H-pyridin-1-ium-1-yl]phenoxy]-2-methyl-propanoate CAS Name: 2-[3-[1-[(4-bromophenyl)-oxomethyl]-3,6-dihydro-2H-pyridin-1-ium-1-yl]phenoxy]-2-methylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3-[1-(4-bromobenzoyl)-3,6-dihydro-2H-pyridin-1-ium-1-yl]phenoxy]-2-methylpropanoate Traditional Name: 2-[3-[1-(4-bromobenzoyl)-3,6-dihydro-2H-pyridin-1-ium-1-yl]phenoxy]-2-methyl-propionic acid isopropyl ester Formula: C25H29BrNO4+ MolecularWeight: 487.40606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C)(C)OC1=CC=CC(=C1)[N+]2(CCC=CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)OC(=O)C(C)(C)OC1=CC=CC(=C1)[N+]2(CCC=CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H29BrNO4/c1-18(2)30-24(29)25(3,4)31-22-10-8-9-21(17-22)27(15-6-5-7-16-27)23(28)19-11-13-20(26)14-12-19/h5-6,8-14,17-18H,7,15-16H2,1-4H3/q+1