[(2R)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]-prop-2-enyl-azanium

Systemtic Name: [(2R)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[(2R)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2R)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-prop-2-enylammonium IUPAC Name: [(2R)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-prop-2-enylazanium Traditional Name: allyl-[(2R)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]ammonium Formula: C14H21ClNO2+ MolecularWeight: 270.77504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(C[NH2+]CC=C)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@@H](C[NH2+]CC=C)O

InChI

InChI=1S/C14H20ClNO2/c1-4-5-16-8-12(17)9-18-13-6-10(2)14(15)11(3)7-13/h4,6-7,12,16-17H,1,5,8-9H2,2-3H3/p+1/t12-/m1/s1