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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-methyl-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-4-methyl-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C24H33ClNO2+ MolecularWeight: 402.97732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(C)C)(C(C[NH+]2CCCC2)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@]([C@H](C[NH+]2CCCC2)C3=CC=C(C=C3)Cl)(C(C)C)O

InChI

InChI=1S/C24H32ClNO2/c1-4-28-22-13-9-20(10-14-22)24(27,18(2)3)23(17-26-15-5-6-16-26)19-7-11-21(25)12-8-19/h7-14,18,23,27H,4-6,15-17H2,1-3H3/p+1/t23-,24-/m1/s1