(1S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethanol Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CC(C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-23-16-10-11-20(24-2)17(13-16)18-9-6-12-21(18)14-19(22)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18-19,22H,6,9,12,14H2,1-2H3/p+1/t18-,19-/m1/s1