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

Systemtic Name: [(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-(2-methoxyethyl)azanium Openeye Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-(2-methoxyethyl)ammonium CAS Name: [(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-(2-methoxyethyl)ammonium IUPAC Name: [(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-(2-methoxyethyl)azanium Traditional Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-(2-methoxyethyl)ammonium Formula: C16H27ClNO3+ MolecularWeight: 316.84348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClNO3/c1-11(2)14-8-15(17)12(3)7-16(14)21-10-13(19)9-18-5-6-20-4/h7-8,11,13,18-19H,5-6,9-10H2,1-4H3/p+1/t13-/m0/s1