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

Systemtic Name: 1-[3-(4-bromanyl-2-methyl-phenoxy)propyl]-4-methyl-piperidin-1-ium Openeye Name: 1-[3-(4-bromo-2-methyl-phenoxy)propyl]-4-methyl-piperidin-1-ium CAS Name: 1-[3-(4-bromo-2-methylphenoxy)propyl]-4-methylpiperidin-1-ium IUPAC Name: 1-[3-(4-bromo-2-methylphenoxy)propyl]-4-methylpiperidin-1-ium Traditional Name: 1-[3-(4-bromo-2-methyl-phenoxy)propyl]-4-methyl-piperidin-1-ium Formula: C16H25BrNO+ MolecularWeight: 327.2798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C16H24BrNO/c1-13-6-9-18(10-7-13)8-3-11-19-16-5-4-15(17)12-14(16)2/h4-5,12-13H,3,6-11H2,1-2H3/p+1