(1R,2S)-2-phenyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanol

Systemtic Name: (1R,2S)-2-phenyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanol Openeye Name: (1R,2S)-2-phenyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanol CAS Name: (1R,2S)-2-phenyl-1-(4-propoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethanol IUPAC Name: (1R,2S)-2-phenyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ium-1-ylethanol Traditional Name: (1R,2S)-2-phenyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanol Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C(C2=CC=CC=C2)[NH+]3CCCC3)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)[NH+]3CCCC3)O

InChI

InChI=1S/C21H27NO2/c1-2-16-24-19-12-10-18(11-13-19)21(23)20(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+/m0/s1