(2S)-1-(2-propan-2-ylphenoxy)-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2-propan-2-ylphenoxy)-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2-isopropylphenoxy)-3-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2-propan-2-ylphenoxy)-3-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2-propan-2-ylphenoxy)-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2-isopropylphenoxy)-3-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propan-2-ol Formula: C20H28NO2S+ MolecularWeight: 346.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH+]2CCCC2C3=CC=CS3)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH+]2CCC[C@@H]2C3=CC=CS3)O

InChI

InChI=1S/C20H27NO2S/c1-15(2)17-7-3-4-9-19(17)23-14-16(22)13-21-11-5-8-18(21)20-10-6-12-24-20/h3-4,6-7,9-10,12,15-16,18,22H,5,8,11,13-14H2,1-2H3/p+1/t16-,18+/m0/s1