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

Systemtic Name: (1S)-3-[(4-bromanyl-2,6-dimethyl-phenoxy)methyl]-1-methyl-1-oxidanidyl-piperidin-1-ium Openeye Name: (1S)-3-[(4-bromo-2,6-dimethyl-phenoxy)methyl]-1-methyl-1-oxido-piperidin-1-ium CAS Name: (1S)-3-[(4-bromo-2,6-dimethylphenoxy)methyl]-1-methyl-1-oxidopiperidin-1-ium IUPAC Name: (1S)-3-[(4-bromo-2,6-dimethylphenoxy)methyl]-1-methyl-1-oxidopiperidin-1-ium Traditional Name: (1S)-3-[(4-bromo-2,6-dimethyl-phenoxy)methyl]-1-methyl-1-oxido-piperidin-1-ium Formula: C15H22BrNO2 MolecularWeight: 328.24468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2CCC[N+](C2)(C)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC2CCC[N@+](C2)(C)[O-])C)Br

InChI

InChI=1S/C15H22BrNO2/c1-11-7-14(16)8-12(2)15(11)19-10-13-5-4-6-17(3,18)9-13/h7-8,13H,4-6,9-10H2,1-3H3/t13?,17-/m0/s1