(2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-hex-5-en-3-ol

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-hex-5-en-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-hex-5-en-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-(1-piperidin-1-iumyl)-5-hexen-3-ol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-ylhex-5-en-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-1-piperidin-1-ium-1-yl-3-p-phenetyl-hex-5-en-3-ol Formula: C25H33ClNO2+ MolecularWeight: 414.98802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC=C)(C(C[NH+]2CCCCC2)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CC=C)([C@H](C[NH+]2CCCCC2)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C25H32ClNO2/c1-3-16-25(28,21-10-14-23(15-11-21)29-4-2)24(19-27-17-6-5-7-18-27)20-8-12-22(26)13-9-20/h3,8-15,24,28H,1,4-7,16-19H2,2H3/p+1/t24-,25-/m1/s1