(2S)-1-(3-methyl-4-propan-2-yl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(3-methyl-4-propan-2-yl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+]2CCCC2)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+]2CCCC2)O)C(C)C

InChI

InChI=1S/C17H27NO2/c1-13(2)17-7-6-16(10-14(17)3)20-12-15(19)11-18-8-4-5-9-18/h6-7,10,13,15,19H,4-5,8-9,11-12H2,1-3H3/p+1/t15-/m0/s1