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

Systemtic Name: (1S,2S)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-methoxyphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C20H26NO2+ MolecularWeight: 312.42594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H25NO2/c1-23-18-11-9-17(10-12-18)20(22)19(15-21-13-5-6-14-21)16-7-3-2-4-8-16/h2-4,7-12,19-20,22H,5-6,13-15H2,1H3/p+1/t19-,20-/m1/s1