(1R,2S)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1R,2S)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-1-(4-ethoxyphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-2-phenyl-1-p-phenetyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO2/c1-2-24-19-12-10-18(11-13-19)21(23)20(16-22-14-6-7-15-22)17-8-4-3-5-9-17/h3-5,8-13,20-21,23H,2,6-7,14-16H2,1H3/p+1/t20-,21+/m1/s1