(2S,3S)-3-(4-ethylphenyl)-2,5-diphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3S)-3-(4-ethylphenyl)-2,5-diphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-ethylphenyl)-2,5-diphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-ethylphenyl)-2,5-diphenyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-ethylphenyl)-2,5-diphenyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-ethylphenyl)-2,5-diphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C30H38NO+ MolecularWeight: 428.62882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CCC2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](CCC2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO/c1-2-25-16-18-28(19-17-25)30(32,21-20-26-12-6-3-7-13-26)29(27-14-8-4-9-15-27)24-31-22-10-5-11-23-31/h3-4,6-9,12-19,29,32H,2,5,10-11,20-24H2,1H3/p+1/t29-,30-/m1/s1