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

Systemtic Name: (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hex-5-en-3-ol Openeye Name: (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hex-5-en-3-ol CAS Name: (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-5-hexen-3-ol IUPAC Name: (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-ylhex-5-en-3-ol Traditional Name: (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hex-5-en-3-ol Formula: C24H32NO2+ MolecularWeight: 366.51638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO2/c1-3-16-24(26,21-12-14-22(27-2)15-13-21)23(20-10-6-4-7-11-20)19-25-17-8-5-9-18-25/h3-4,6-7,10-15,23,26H,1,5,8-9,16-19H2,2H3/p+1/t23-,24-/m1/s1