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

Systemtic Name: 4-methyl-2-[3-[1-(3-methylbut-2-enyl)pyrrolidin-1-ium-1-yl]-1-phenyl-propyl]phenol bromide Openeye Name: 4-methyl-2-[3-[1-(3-methylbut-2-enyl)pyrrolidin-1-ium-1-yl]-1-phenyl-propyl]phenol bromide CAS Name: 4-methyl-2-[3-[1-(3-methylbut-2-enyl)-1-pyrrolidin-1-iumyl]-1-phenylpropyl]phenol bromide IUPAC Name: 4-methyl-2-[3-[1-(3-methylbut-2-enyl)pyrrolidin-1-ium-1-yl]-1-phenylpropyl]phenol bromide Traditional Name: 4-methyl-2-[3-[1-(3-methylbut-2-enyl)pyrrolidin-1-ium-1-yl]-1-phenyl-propyl]phenol bromide Formula: C25H34BrNO MolecularWeight: 444.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCC2)CC=C(C)C)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCC2)CC=C(C)C)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C25H33NO.BrH/c1-20(2)13-17-26(15-7-8-16-26)18-14-23(22-9-5-4-6-10-22)24-19-21(3)11-12-25(24)27;/h4-6,9-13,19,23H,7-8,14-18H2,1-3H3;1H