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

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

Isomeric SMILES

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

InChI

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