2-[3-[1-(2-methylprop-2-enyl)pyrrolidin-1-ium-1-yl]-1-phenyl-propyl]phenol bromide

Systemtic Name: 2-[3-[1-(2-methylprop-2-enyl)pyrrolidin-1-ium-1-yl]-1-phenyl-propyl]phenol bromide Openeye Name: 2-[3-[1-(2-methylallyl)pyrrolidin-1-ium-1-yl]-1-phenyl-propyl]phenol bromide CAS Name: 2-[3-[1-(2-methylprop-2-enyl)-1-pyrrolidin-1-iumyl]-1-phenylpropyl]phenol bromide IUPAC Name: 2-[3-[1-(2-methylprop-2-enyl)pyrrolidin-1-ium-1-yl]-1-phenylpropyl]phenol bromide Traditional Name: 2-[3-[1-(2-methylallyl)pyrrolidin-1-ium-1-yl]-1-phenyl-propyl]phenol bromide Formula: C23H30BrNO MolecularWeight: 416.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[N+]1(CCCC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3O.[Br-]

Isomeric SMILES

CC(=C)C[N+]1(CCCC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3O.[Br-]

InChI

InChI=1S/C23H29NO.BrH/c1-19(2)18-24(15-8-9-16-24)17-14-21(20-10-4-3-5-11-20)22-12-6-7-13-23(22)25;/h3-7,10-13,21H,1,8-9,14-18H2,2H3;1H