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

Systemtic Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C23H32NO+ MolecularWeight: 338.50628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](CC)([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H31NO/c1-3-19-12-14-21(15-13-19)23(25,4-2)22(18-24-16-8-9-17-24)20-10-6-5-7-11-20/h5-7,10-15,22,25H,3-4,8-9,16-18H2,1-2H3/p+1/t22-,23-/m1/s1