[3-bromanyl-5-methoxy-4-[(2R)-1-oxidanylpropan-2-yl]oxy-phenyl]methyl-cyclopentyl-azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-[(2R)-1-oxidanylpropan-2-yl]oxy-phenyl]methyl-cyclopentyl-azanium Openeye Name: [3-bromo-4-[(1R)-2-hydroxy-1-methyl-ethoxy]-5-methoxy-phenyl]methyl-cyclopentyl-ammonium CAS Name: [3-bromo-4-[(2R)-1-hydroxypropan-2-yl]oxy-5-methoxyphenyl]methyl-cyclopentylammonium IUPAC Name: [3-bromo-4-[(2R)-1-hydroxypropan-2-yl]oxy-5-methoxyphenyl]methyl-cyclopentylazanium Traditional Name: [3-bromo-4-[(1R)-2-hydroxy-1-methyl-ethoxy]-5-methoxy-benzyl]-cyclopentyl-ammonium Formula: C16H25BrNO3+ MolecularWeight: 359.2786

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)OC1=C(C=C(C=C1Br)C[NH2+]C2CCCC2)OC

Isomeric SMILES

C[C@H](CO)OC1=C(C=C(C=C1Br)C[NH2+]C2CCCC2)OC

InChI

InChI=1S/C16H24BrNO3/c1-11(10-19)21-16-14(17)7-12(8-15(16)20-2)9-18-13-5-3-4-6-13/h7-8,11,13,18-19H,3-6,9-10H2,1-2H3/p+1/t11-/m1/s1