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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-4-methyl-1-piperidin-1-ium-1-yl-3-p-phenetyl-pentan-3-ol Formula: C25H35ClNO2+ MolecularWeight: 417.0039

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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=C(C=C3)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClNO2/c1-4-29-23-14-10-21(11-15-23)25(28,19(2)3)24(18-27-16-6-5-7-17-27)20-8-12-22(26)13-9-20/h8-15,19,24,28H,4-7,16-18H2,1-3H3/p+1/t24-,25-/m1/s1