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

Systemtic Name: 1-[4-(4-bromanyl-2-methyl-phenoxy)butyl]pyrrolidin-1-ium Openeye Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]pyrrolidin-1-ium CAS Name: 1-[4-(4-bromo-2-methylphenoxy)butyl]pyrrolidin-1-ium IUPAC Name: 1-[4-(4-bromo-2-methylphenoxy)butyl]pyrrolidin-1-ium Traditional Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]pyrrolidin-1-ium Formula: C15H23BrNO+ MolecularWeight: 313.25322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrNO/c1-13-12-14(16)6-7-15(13)18-11-5-4-10-17-8-2-3-9-17/h6-7,12H,2-5,8-11H2,1H3/p+1