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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-hex-5-en-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-hex-5-en-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-(1-piperidin-1-iumyl)-5-hexen-3-ol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-ylhex-5-en-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-hex-5-en-3-ol Formula: C24H31ClNO2+ MolecularWeight: 400.96144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC=C)(C(C[NH+]2CCCCC2)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@](CC=C)([C@H](C[NH+]2CCCCC2)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C24H30ClNO2/c1-3-15-24(27,20-9-13-22(28-2)14-10-20)23(18-26-16-5-4-6-17-26)19-7-11-21(25)12-8-19/h3,7-14,23,27H,1,4-6,15-18H2,2H3/p+1/t23-,24-/m1/s1