(3S,5S)-1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3S,5S)-1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3S,5S)-1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3S,5S)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3S,5S)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3S,5S)-1-(5-bromo-2,4-dimethoxy-benzyl)-3,5-dimethyl-piperidin-1-ium Formula: C16H25BrNO2+ MolecularWeight: 343.2792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=C(C=C2OC)OC)Br)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=CC(=C(C=C2OC)OC)Br)C

InChI

InChI=1S/C16H24BrNO2/c1-11-5-12(2)9-18(8-11)10-13-6-14(17)16(20-4)7-15(13)19-3/h6-7,11-12H,5,8-10H2,1-4H3/p+1/t11-,12-/m0/s1