cyclohexyl-[(2R)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-[(2R)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: cyclohexyl-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: cyclohexyl-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: cyclohexyl-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(C[NH2+]C2CCCCC2)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC[C@@H](C[NH2+]C2CCCCC2)O)C

InChI

InChI=1S/C17H27NO2/c1-13-8-9-17(10-14(13)2)20-12-16(19)11-18-15-6-4-3-5-7-15/h8-10,15-16,18-19H,3-7,11-12H2,1-2H3/p+1/t16-/m1/s1