cycloheptyl-[(2R)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cycloheptyl-[(2R)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cycloheptyl-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: cycloheptyl-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: cycloheptyl-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: cycloheptyl-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(C[NH2+]C2CCCCCC2)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@@H](C[NH2+]C2CCCCCC2)O)C

InChI

InChI=1S/C18H29NO2/c1-14-9-15(2)11-18(10-14)21-13-17(20)12-19-16-7-5-3-4-6-8-16/h9-11,16-17,19-20H,3-8,12-13H2,1-2H3/p+1/t17-/m1/s1