4-butoxy-1-butyl-7-methoxy-2-phenyl-quinolin-1-ium-5-ol bromide

Systemtic Name: 4-butoxy-1-butyl-7-methoxy-2-phenyl-quinolin-1-ium-5-ol bromide Openeye Name: 4-butoxy-1-butyl-7-methoxy-2-phenyl-quinolin-1-ium-5-ol bromide CAS Name: 4-butoxy-1-butyl-7-methoxy-2-phenyl-5-quinolin-1-iumol bromide IUPAC Name: 4-butoxy-1-butyl-7-methoxy-2-phenylquinolin-1-ium-5-ol bromide Traditional Name: 4-butoxy-1-butyl-7-methoxy-2-phenyl-quinolin-1-ium-5-ol bromide Formula: C24H30BrNO3 MolecularWeight: 460.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C2=C(C=C(C=C21)OC)O)OCCCC)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCC[N+]1=C(C=C(C2=C(C=C(C=C21)OC)O)OCCCC)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C24H29NO3.BrH/c1-4-6-13-25-20(18-11-9-8-10-12-18)17-23(28-14-7-5-2)24-21(25)15-19(27-3)16-22(24)26;/h8-12,15-17H,4-7,13-14H2,1-3H3;1H