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

Systemtic Name: 3-[[(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]ammonio]propyl-dimethyl-ammonium Formula: C18H33ClN2O2+2 MolecularWeight: 344.91982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31ClN2O2/c1-13(2)16-10-17(19)14(3)9-18(16)23-12-15(22)11-20-7-6-8-21(4)5/h9-10,13,15,20,22H,6-8,11-12H2,1-5H3/p+2/t15-/m0/s1