(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C23H31ClNO2+ MolecularWeight: 388.95074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClNO2/c1-3-14-23(26,19-8-12-21(27-2)13-9-19)22(17-25-15-4-5-16-25)18-6-10-20(24)11-7-18/h6-13,22,26H,3-5,14-17H2,1-2H3/p+1/t22-,23-/m1/s1