[(2R)-2-(3-bromanyl-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-(3-bromanyl-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(3-bromo-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(3-bromo-4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-bromo-4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(3-bromo-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C14H23BrN2O+2 MolecularWeight: 315.24922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[NH3+])[NH+]2CCCCC2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C[NH3+])[NH+]2CCCCC2)Br

InChI

InChI=1S/C14H21BrN2O/c1-18-14-6-5-11(9-12(14)15)13(10-16)17-7-3-2-4-8-17/h5-6,9,13H,2-4,7-8,10,16H2,1H3/p+2/t13-/m0/s1