(2R)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(4-methylquinolin-1-ium-1-yl)propan-2-ol bromide

Systemtic Name: (2R)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(4-methylquinolin-1-ium-1-yl)propan-2-ol bromide Openeye Name: (2R)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(4-methylquinolin-1-ium-1-yl)propan-2-ol bromide CAS Name: (2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methyl-1-quinolin-1-iumyl)-2-propanol bromide IUPAC Name: (2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methylquinolin-1-ium-1-yl)propan-2-ol bromide Traditional Name: (2R)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(4-methylquinolin-1-ium-1-yl)propan-2-ol bromide Formula: C34H34BrNO4 MolecularWeight: 600.54206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C2=CC=CC=C12)CC(COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O.[Br-]

Isomeric SMILES

CC1=CC=[N+](C2=CC=CC=C12)C[C@H](COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O.[Br-]

InChI

InChI=1S/C34H34NO4.BrH/c1-25-21-22-35(33-12-8-7-11-32(25)33)23-29(36)24-39-34(26-9-5-4-6-10-26,27-13-17-30(37-2)18-14-27)28-15-19-31(38-3)20-16-28;/h4-22,29,36H,23-24H2,1-3H3;1H/q+1;/p-1/t29-;/m1./s1