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

Systemtic Name: (2S,3S)-3-(4-methylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-2-phenyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-methylphenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-methylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-2-phenyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C23H32NO+ MolecularWeight: 338.50628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO/c1-3-15-23(25,21-13-11-19(2)12-14-21)22(18-24-16-7-8-17-24)20-9-5-4-6-10-20/h4-6,9-14,22,25H,3,7-8,15-18H2,1-2H3/p+1/t22-,23-/m1/s1