(1S,2R)-1-phenyl-2-[(3R)-3-(phenylmethyl)pyrrolidin-1-ium-1-yl]propan-1-ol hydroxide

Systemtic Name: (1S,2R)-1-phenyl-2-[(3R)-3-(phenylmethyl)pyrrolidin-1-ium-1-yl]propan-1-ol hydroxide Openeye Name: (1S,2R)-2-[(3R)-3-benzylpyrrolidin-1-ium-1-yl]-1-phenyl-propan-1-ol hydroxide CAS Name: (1S,2R)-1-phenyl-2-[(3R)-3-(phenylmethyl)-1-pyrrolidin-1-iumyl]-1-propanol hydroxide IUPAC Name: (1S,2R)-2-[(3R)-3-benzylpyrrolidin-1-ium-1-yl]-1-phenylpropan-1-ol hydroxide Traditional Name: (1S,2R)-2-[(3R)-3-benzylpyrrolidin-1-ium-1-yl]-1-phenyl-propan-1-ol hydroxide Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH+]2CCC(C2)CC3=CC=CC=C3.[OH-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)[NH+]2CC[C@H](C2)CC3=CC=CC=C3.[OH-]

InChI

InChI=1S/C20H25NO.H2O/c1-16(20(22)19-10-6-3-7-11-19)21-13-12-18(15-21)14-17-8-4-2-5-9-17;/h2-11,16,18,20,22H,12-15H2,1H3;1H2/t16-,18+,20-;/m1./s1