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

Systemtic Name: [(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-(3-propan-2-yloxypropyl)azanium Openeye Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-(3-isopropoxypropyl)ammonium CAS Name: [(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-(3-propan-2-yloxypropyl)azanium Traditional Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-(3-isopropoxypropyl)ammonium Formula: C19H33ClNO3+ MolecularWeight: 358.92322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32ClNO3/c1-13(2)17-10-18(20)15(5)9-19(17)24-12-16(22)11-21-7-6-8-23-14(3)4/h9-10,13-14,16,21-22H,6-8,11-12H2,1-5H3/p+1/t16-/m0/s1