(2R,3S)-3-(4-ethoxyphenyl)-4-methyl-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2R,3S)-3-(4-ethoxyphenyl)-4-methyl-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2R,3S)-3-(4-ethoxyphenyl)-4-methyl-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2R,3S)-3-(4-ethoxyphenyl)-4-methyl-2-phenyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2R,3S)-3-(4-ethoxyphenyl)-4-methyl-2-phenyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2R,3S)-4-methyl-2-phenyl-1-piperidin-1-ium-1-yl-3-p-phenetyl-pentan-3-ol Formula: C25H36NO2+ MolecularWeight: 382.55884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO2/c1-4-28-23-15-13-22(14-16-23)25(27,20(2)3)24(21-11-7-5-8-12-21)19-26-17-9-6-10-18-26/h5,7-8,11-16,20,24,27H,4,6,9-10,17-19H2,1-3H3/p+1/t24-,25+/m0/s1