(2R,4R,5S)-4-(2-bromanyl-5-ethoxy-phenyl)-1,2,5-trimethyl-piperidin-1-ium-4-ol

Systemtic Name: (2R,4R,5S)-4-(2-bromanyl-5-ethoxy-phenyl)-1,2,5-trimethyl-piperidin-1-ium-4-ol Openeye Name: (2R,4R,5S)-4-(2-bromo-5-ethoxy-phenyl)-1,2,5-trimethyl-piperidin-1-ium-4-ol CAS Name: (2R,4R,5S)-4-(2-bromo-5-ethoxyphenyl)-1,2,5-trimethyl-4-piperidin-1-iumol IUPAC Name: (2R,4R,5S)-4-(2-bromo-5-ethoxyphenyl)-1,2,5-trimethylpiperidin-1-ium-4-ol Traditional Name: (2R,4R,5S)-4-(2-bromo-5-ethoxy-phenyl)-1,2,5-trimethyl-piperidin-1-ium-4-ol Formula: C16H25BrNO2+ MolecularWeight: 343.2792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)Br)C2(CC([NH+](CC2C)C)C)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)Br)[C@]2(C[C@H]([NH+](C[C@@H]2C)C)C)O

InChI

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