[(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-(2-dimethylaminoethyl)azanium

Systemtic Name: [(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-(2-dimethylaminoethyl)azanium Openeye Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-(2-dimethylaminoethyl)ammonium CAS Name: [(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-(2-dimethylaminoethyl)ammonium IUPAC Name: [(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-(2-dimethylaminoethyl)azanium Traditional Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-(2-dimethylaminoethyl)ammonium Formula: C17H30ClN2O2+ MolecularWeight: 329.8853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29ClN2O2/c1-12(2)15-9-16(18)13(3)8-17(15)22-11-14(21)10-19-6-7-20(4)5/h8-9,12,14,19,21H,6-7,10-11H2,1-5H3/p+1/t14-/m0/s1