1-[3-(4-bromanyl-2-methyl-phenoxy)propyl]pyrrolidin-1-ium

Systemtic Name: 1-[3-(4-bromanyl-2-methyl-phenoxy)propyl]pyrrolidin-1-ium Openeye Name: 1-[3-(4-bromo-2-methyl-phenoxy)propyl]pyrrolidin-1-ium CAS Name: 1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidin-1-ium IUPAC Name: 1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidin-1-ium Traditional Name: 1-[3-(4-bromo-2-methyl-phenoxy)propyl]pyrrolidin-1-ium Formula: C14H21BrNO+ MolecularWeight: 299.22664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCC[NH+]2CCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCC[NH+]2CCCC2

InChI

InChI=1S/C14H20BrNO/c1-12-11-13(15)5-6-14(12)17-10-4-9-16-7-2-3-8-16/h5-6,11H,2-4,7-10H2,1H3/p+1