(2S,3S)-3-(4-methylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3S)-3-(4-methylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-2-phenyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-methylphenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-methylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-2-phenyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C22H30NO+ MolecularWeight: 324.4797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO/c1-3-22(24,20-13-11-18(2)12-14-20)21(17-23-15-7-8-16-23)19-9-5-4-6-10-19/h4-6,9-14,21,24H,3,7-8,15-17H2,1-2H3/p+1/t21-,22-/m1/s1