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

Systemtic Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hex-5-en-3-ol Openeye Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hex-5-en-3-ol CAS Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-5-hexen-3-ol IUPAC Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-piperidin-1-ium-1-ylhex-5-en-3-ol Traditional Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hex-5-en-3-ol Formula: C25H34NO+ MolecularWeight: 364.54356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC=C)(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](CC=C)([C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H33NO/c1-3-17-25(27,23-15-13-21(4-2)14-16-23)24(22-11-7-5-8-12-22)20-26-18-9-6-10-19-26/h3,5,7-8,11-16,24,27H,1,4,6,9-10,17-20H2,2H3/p+1/t24-,25-/m1/s1