(3S)-1-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[3-(2-bromo-4,6-dimethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[3-(2-bromo-4,6-dimethylphenoxy)propyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[3-(2-bromo-4,6-dimethylphenoxy)propyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[3-(2-bromo-4,6-dimethyl-phenoxy)propyl]-3-methyl-piperidin-1-ium Formula: C17H27BrNO+ MolecularWeight: 341.30638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCOC2=C(C=C(C=C2Br)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCOC2=C(C=C(C=C2Br)C)C

InChI

InChI=1S/C17H26BrNO/c1-13-6-4-7-19(12-13)8-5-9-20-17-15(3)10-14(2)11-16(17)18/h10-11,13H,4-9,12H2,1-3H3/p+1/t13-/m0/s1