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

Systemtic Name: 2-[[(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azaniumyl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]ammonio]ethyl-diisopropyl-ammonium CAS Name: 2-[[(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]ammonio]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]azaniumyl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]ammonio]ethyl-diisopropyl-ammonium Formula: C21H39ClN2O2+2 MolecularWeight: 386.99956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37ClN2O2/c1-14(2)19-11-20(22)17(7)10-21(19)26-13-18(25)12-23-8-9-24(15(3)4)16(5)6/h10-11,14-16,18,23,25H,8-9,12-13H2,1-7H3/p+2/t18-/m0/s1