[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium

Systemtic Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Openeye Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium CAS Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Traditional Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium Formula: C21H38N2O2+2 MolecularWeight: 350.53862

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]CC(COC2=C(C=C(C=C2)C(C)(C)C)C)O

Isomeric SMILES

CC[NH+]1CCC[C@H]1C[NH2+]C[C@@H](COC2=C(C=C(C=C2)C(C)(C)C)C)O

InChI

InChI=1S/C21H36N2O2/c1-6-23-11-7-8-18(23)13-22-14-19(24)15-25-20-10-9-17(12-16(20)2)21(3,4)5/h9-10,12,18-19,22,24H,6-8,11,13-15H2,1-5H3/p+2/t18-,19-/m0/s1